Geometry & MOs

Info

ID:	244404
PubChem CID:	99350621
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	-44.81
Dipole, Da:	4.56
IP(EA), eV:	-8.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methylcarbamoyl]phenyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CSC=C4

DOS

IR

Vibrations