Geometry & MOs

Info

ID:	131741
PubChem CID:	51256845
Reduced:	ClN3O4H14C15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	336.168522
ΔH_f, kcal/mol:	-114.03
Dipole, Da:	3.13
IP(EA), eV:	-9.89(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-(3-methylbutanoylamino)-3-(2-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CC=C1Cl)NC(=O)C2=NNC(=O)C=C2

DOS

IR

Vibrations