Geometry & MOs

Info

ID:	134488
PubChem CID:	51704949
Reduced:	NSO6C27H29 (1)
Stoich.:	ABC6D27E29 (1)
Weight, g/mol:	483.127107
ΔH_f, kcal/mol:	-197.52
Dipole, Da:	6.96
IP(EA), eV:	-8.3(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-oxolan-2-yl]methyl (4R,7S)-4-(3-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

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@@H](C2=C(N1)C[C@H](CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)O)OC)C(=O)OC[C@@H]5CCCO5

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@@H](C2=C(N1)C[C@H](CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)O)OC)C(=O)OC[C@@H]5CCCO5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):