Geometry & MOs

Info

ID:	8908
PubChem CID:	83436
Reduced:	Cl2N3O4C22H33 (1)
Stoich.:	A2B3C4D22E33 (1)
Weight, g/mol:	473.184812
ΔH_f, kcal/mol:	-217.16
Dipole, Da:	2.19
IP(EA), eV:	-8.68(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C(C)C)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C

DOS

IR

Vibrations