Geometry & MOs

Info

ID:	393767
PubChem CID:	135021658
Reduced:	N3O3H13C17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	396.093249
ΔH_f, kcal/mol:	-12.61
Dipole, Da:	5.62
IP(EA), eV:	-9.02(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[2-[3-[3-[2-[(Z)-2-cyanoethenyl]phenyl]prop-2-ynylsulfonyl]prop-1-ynyl]phenyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)N2C(=O)C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations