Geometry & MOs

Info

ID:	151882
PubChem CID:	56310706
Reduced:	SN4O4C24H32 (1)
Stoich.:	AB4C4D24E32 (1)
Weight, g/mol:	433.182398
ΔH_f, kcal/mol:	-140.74
Dipole, Da:	4.92
IP(EA), eV:	-8.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations