Geometry & MOs

Info

ID:	243743
PubChem CID:	99234544
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	431.224263
ΔH_f, kcal/mol:	-174.79
Dipole, Da:	1.82
IP(EA), eV:	-8.44(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C(C)C

DOS

IR

Vibrations