Geometry & MOs

Info

ID:	157781
PubChem CID:	56437157
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	479.118478
ΔH_f, kcal/mol:	8.35
Dipole, Da:	4.64
IP(EA), eV:	-7.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCCNC(=O)NC2=CC=C(C=C2)N3CCC4=CC=CC=C43

DOS

IR

Vibrations