Geometry & MOs

Info

ID:	425497
PubChem CID:	135126551
Reduced:	N7O8C18H31 (1)
Stoich.:	A7B8C18D31 (1)
Weight, g/mol:	298.12772
ΔH_f, kcal/mol:	-320.67
Dipole, Da:	5.24
IP(EA), eV:	-9.94(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,3-diaminopropanoyl-(2,5-dioxopyrrol-1-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)N(C(=O)CC(N)N)N1C(=O)C=CC1=O.C(CC(C(=O)O)N)CNC(=O)N

DOS

IR

Vibrations