Geometry & MOs

Info

ID:	165210
PubChem CID:	74517218
Reduced:	SN2O5C14H20 (1)
Stoich.:	AB2C5D14E20 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-212.24
Dipole, Da:	8.06
IP(EA), eV:	-9.59(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

DOS

IR

Vibrations