Geometry & MOs

Info

ID:	148067
PubChem CID:	53787729
Reduced:	NOSC8H17 (1)
Stoich.:	ABCD8E17 (1)
Weight, g/mol:	322.10123
ΔH_f, kcal/mol:	-69.82
Dipole, Da:	3.87
IP(EA), eV:	-8.88(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-2-hydroxypropyl)-(1,2-dicarboxyethyl)amino]butanedioic acid

Drug info:

PubChemData

Smile

CCC(C)(C)CCOC(=S)N

DOS

IR

Vibrations