Geometry & MOs

Info

ID:	77266
PubChem CID:	48425994
Reduced:	ClSO2N5C16H20 (1)
Stoich.:	ABC2D5E16F20 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-27.06
Dipole, Da:	5.42
IP(EA), eV:	-8.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-[2-(diethylamino)-2-oxoethyl]-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CSC1=NN=CN1C2=CC(=CC=C2)Cl

DOS

IR

Vibrations