Geometry & MOs

Info

ID:	216701
PubChem CID:	85086636
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	294.09642
ΔH_f, kcal/mol:	-72.64
Dipole, Da:	1.84
IP(EA), eV:	-8.2(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-3-[2-(4-nitrobenzoyl)hydrazinyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC(C)SC1=CC=C(C=C1)N(C)C)C

DOS

IR

Vibrations