Geometry & MOs

Info

ID:	407067
PubChem CID:	135079231
Reduced:	NC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	488.176979
ΔH_f, kcal/mol:	51.26
Dipole, Da:	0.69
IP(EA), eV:	-8.34(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-3-[2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanethioyl]amino]phenyl]prop-2-enyl] acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N(CC2=CC=CC=C2)N

DOS

IR

Vibrations