Geometry & MOs

Info

ID:	10555
PubChem CID:	104256
Reduced:	NaCl2N2O3C21H23 (1)
Stoich.:	AB2C2D3E21F23 (1)
Weight, g/mol:	444.098342
ΔH_f, kcal/mol:	-151.52
Dipole, Da:	19.62
IP(EA), eV:	-8.39(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])N(CCCl)CCCl.[Na+]

DOS

IR

Vibrations