Geometry & MOs

Info

ID:	340137
PubChem CID:	127262146
Reduced:	ClO3N4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	396.192818
ΔH_f, kcal/mol:	-126.77
Dipole, Da:	5.36
IP(EA), eV:	-9.54(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-[(2S)-2-aminopropanoyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(CCCC[C@@H](C(=O)CCl)N)[C@@H](CC1=CC=CC=C1)C(=O)N)N

DOS

IR

Vibrations