Geometry & MOs

Info

ID:	194285
PubChem CID:	78510655
Reduced:	N3O6C18H19 (1)
Stoich.:	A3B6C18D19 (1)
Weight, g/mol:	386.093643
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	9.77
IP(EA), eV:	-9.24(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations