Geometry & MOs

Info

ID:	311465
PubChem CID:	126592928
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	262.109962
ΔH_f, kcal/mol:	-18.26
Dipole, Da:	3.17
IP(EA), eV:	-9.34(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-2-[(2S)-2,3-diamino-3-oxopropyl]sulfanyl-4-oxobutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations