Geometry & MOs

Info

ID:	339858
PubChem CID:	127261867
Reduced:	O5N7C16H23 (1)
Stoich.:	A5B7C16D23 (1)
Weight, g/mol:	455.275721
ΔH_f, kcal/mol:	-103.05
Dipole, Da:	8.11
IP(EA), eV:	-9.14(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations