Geometry & MOs

Info

ID:	175358
PubChem CID:	75887311
Reduced:	O3N4C28H38 (1)
Stoich.:	A3B4C28D38 (1)
Weight, g/mol:	463.159949
ΔH_f, kcal/mol:	-101.96
Dipole, Da:	5.09
IP(EA), eV:	-8.42(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-[[[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]methyl]phenyl]butanamide

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)COC2=CC=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4CCCCCC4)C

DOS

IR

Vibrations