Geometry & MOs

Info

ID:	381475
PubChem CID:	134972227
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	469.253648
ΔH_f, kcal/mol:	-19.59
Dipole, Da:	1.88
IP(EA), eV:	-8.2(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(2R,3S)-2-amino-3-hydroxybutanoyl]-[3-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propyl]amino]propyl]-2,3-dihydroxybenzamide

Drug info:

PubChemData

Smile

CCCCNC1=C(C(=O)C2=C(C1=O)C=CC=C2N)NC3=CC=CC=C3

DOS

IR

Vibrations