Geometry & MOs

Info

ID:	232351
PubChem CID:	87576052
Reduced:	SN3O7H25C27 (1)
Stoich.:	AB3C7D25E27 (1)
Weight, g/mol:	399.194677
ΔH_f, kcal/mol:	-206.65
Dipole, Da:	14.35
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1Z)-1-(5-benzyl-5-ethyl-4-methyl-3,6-dioxopiperazin-2-ylidene)ethyl]-3-ethenylbenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)S(=O)(=O)NC2=CC\3=C(C=C2)NC(=O)/C3=C/C4=C(C5=C(N4)CCCC5=O)CCC(=O)O

DOS

IR

Vibrations