Geometry & MOs

Info

ID:	339852
PubChem CID:	127261861
Reduced:	O3N6C19H26 (1)
Stoich.:	A3B6C19D26 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-72.73
Dipole, Da:	3.21
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC2=CC=CC=C21)N([C@@H](CCCN=C(N)N)C(=O)N)C(=O)CN

DOS

IR

Vibrations