Geometry & MOs

Info

ID:	189234
PubChem CID:	77830732
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	420.23727
ΔH_f, kcal/mol:	-119.49
Dipole, Da:	4.78
IP(EA), eV:	-8.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-amino-2-[(1-amino-4-methyl-1-oxopentan-2-yl)carbamoyl]-4-methyl-1-oxopentan-2-yl]-methylamino]benzoic acid

Drug info:

PubChemData

Smile

CC(C(=O)N(C1=CC2=CC=CC=C2C(=C1)OC)N3CCCC3C(=O)O)N

DOS

IR

Vibrations