Geometry & MOs

Info

ID:	16164
PubChem CID:	460433
Reduced:	ClO3N4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	382.177168
ΔH_f, kcal/mol:	-151.55
Dipole, Da:	3.9
IP(EA), eV:	-9.47(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-benzyl-6-(2-chloroethylcarbamoylamino)hexanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CCCCNC(=O)NCCCl)C(=O)NCC1=CC=CC=C1

DOS

IR

Vibrations