Geometry & MOs

Info

ID:	234201
PubChem CID:	92297912
Reduced:	FSO4N6H23C28 (1)
Stoich.:	ABC4D6E23F28 (1)
Weight, g/mol:	574.125709
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	4.56
IP(EA), eV:	-8.99(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-N-[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC2=C(C=CC(=C2)[C@@H](C(=O)NCC3=CC=C(C=C3)F)N(CC4=CC=CO4)C(=O)C5=C(C(=NS5)C(=O)N)N)N=C1

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC2=C(C=CC(=C2)[C@@H](C(=O)NCC3=CC=C(C=C3)F)N(CC4=CC=CO4)C(=O)C5=C(C(=NS5)C(=O)N)N)N=C1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):