Geometry & MOs

Info

ID:	77269
PubChem CID:	48425999
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-36.94
Dipole, Da:	8.35
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-[2-(diethylamino)-2-oxoethyl]-3-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations