Geometry & MOs

Info

ID:	236141
PubChem CID:	92711713
Reduced:	NSO2C12H13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	470.1334
ΔH_f, kcal/mol:	-117.56
Dipole, Da:	5.11
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(7S)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@@H]2C3=CC=C(C=C3)OC)C(=O)NC4=C(SC=C4)C(=O)OC)C

DOS

IR

Vibrations