Geometry & MOs

Info

ID:	168188
PubChem CID:	74934884
Reduced:	SN7O10C35H47 (1)
Stoich.:	AB7C10D35E47 (1)
Weight, g/mol:	480.247166
ΔH_f, kcal/mol:	-351.88
Dipole, Da:	8.13
IP(EA), eV:	-8.66(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxybutanedioate;(1-hydroxy-1-phenylpropan-2-yl)-methylazanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCSC)C(=O)NCC(=O)NC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])N

DOS

IR

Vibrations