Geometry & MOs

Info

ID:	312702
PubChem CID:	126607463
Reduced:	O2N7C23H31 (1)
Stoich.:	A2B7C23D31 (1)
Weight, g/mol:	535.10665
ΔH_f, kcal/mol:	-3.11
Dipole, Da:	4.06
IP(EA), eV:	-8.26(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(2-amino-6-bromo-3-nitropyridin-4-yl)-N-[[3-[propan-2-yloxycarbonyl(prop-2-enyl)amino]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CN(/C(=C\N)/CCOCC(=O)N1CCC2=NC(=NC=C2C1)NC3CC4=CC=CC=C4C3)N

DOS

IR

Vibrations