Geometry & MOs

Info

ID:	340136
PubChem CID:	127262145
Reduced:	N5O5C23H27 (1)
Stoich.:	A5B5C23D27 (1)
Weight, g/mol:	396.192818
ΔH_f, kcal/mol:	-96.65
Dipole, Da:	12.26
IP(EA), eV:	-9.7(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(5S)-5-amino-7-chloro-6-oxoheptyl]-[(2S)-2-aminopropanoyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CC3=CC=CC=C3)C(=O)N)N

DOS

IR

Vibrations