Geometry & MOs

Info

ID:	151499
PubChem CID:	53837732
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	275.184506
ΔH_f, kcal/mol:	98.9
Dipole, Da:	3.09
IP(EA), eV:	-8.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-amino-3-[[(1S)-5-amino-1-carboxypentyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=NN2C(=C(N=C2S1)C3=CC=CC=C3)C=NN(C(=O)C)N(C)C

DOS

IR

Vibrations