Geometry & MOs

Info

ID:	159172
PubChem CID:	57264296
Reduced:	BrOCl2F3N3H7C15 (1)
Stoich.:	ABC2D3E3F7G15 (1)
Weight, g/mol:	274.116486
ΔH_f, kcal/mol:	-136.59
Dipole, Da:	3.72
IP(EA), eV:	-9.16(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-2-[(2-hydroxy-5-imino-4-methylpentanoyl)amino]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C1=CN2C(=C(N=C2C(=C1)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C(F)(F)F)Br

DOS

IR

Vibrations