Geometry & MOs

Info

ID:	339855
PubChem CID:	127261864
Reduced:	O4N7C17H27 (1)
Stoich.:	A4B7C17D27 (1)
Weight, g/mol:	455.264488
ΔH_f, kcal/mol:	-69.95
Dipole, Da:	7.14
IP(EA), eV:	-9.17(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-naphthalen-2-ylamino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations