Geometry & MOs

Info

ID:	9343
PubChem CID:	88130
Reduced:	Cl2N3O3C16H23 (1)
Stoich.:	A2B3C3D16E23 (1)
Weight, g/mol:	375.111647
ΔH_f, kcal/mol:	-144.02
Dipole, Da:	6.39
IP(EA), eV:	-8.83(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CCN)N(CCCl)CCCl

DOS

IR

Vibrations