Geometry & MOs

Info

ID:	131339
PubChem CID:	51192893
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-68.48
Dipole, Da:	0.77
IP(EA), eV:	-8.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-oxo-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(C)NC(=O)CCCNC(=O)C2=CSC=C2

DOS

IR

Vibrations