Geometry & MOs

Info

ID:	151997
PubChem CID:	56310834
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	-53.38
Dipole, Da:	6.52
IP(EA), eV:	-8.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2)C(C)C3=CC(=CC=C3)OC

DOS

IR

Vibrations