Geometry & MOs

Info

ID:	234082
PubChem CID:	92297681
Reduced:	SO3N6C30H32 (1)
Stoich.:	AB3C6D30E32 (1)
Weight, g/mol:	532.189275
ΔH_f, kcal/mol:	-17.61
Dipole, Da:	5.72
IP(EA), eV:	-8.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-N-(2,3-dimethylphenyl)-5-N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-quinolin-6-ylethyl]-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

CC1=C(C(=CC=C1)N([C@H](C2=CC=C(C=C2)N(C)C)C(=O)NCC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N)C

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

CC1=C(C(=CC=C1)N([C@H](C2=CC=C(C=C2)N(C)C)C(=O)NCC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):