Geometry & MOs

Info

ID:	12927
PubChem CID:	148457
Reduced:	Cl2O4N5C25H35 (1)
Stoich.:	A2B4C5D25E35 (1)
Weight, g/mol:	539.20661
ΔH_f, kcal/mol:	-167.22
Dipole, Da:	6.95
IP(EA), eV:	-8.72(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N[C@@H](CC1=CN=CN1)C(=O)OC)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl

DOS

IR

Vibrations