Geometry & MOs

Info

ID:	244403
PubChem CID:	99350619
Reduced:	Cl2N2O2C21H22 (1)
Stoich.:	A2B2C2D21E22 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	4.02
IP(EA), eV:	-7.85(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)/C=C/C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations