Geometry & MOs

Info

ID:	45861
PubChem CID:	10518314
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	300.114378
ΔH_f, kcal/mol:	-91.67
Dipole, Da:	1.94
IP(EA), eV:	-9.72(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methoxycarbonylamino]butanoic acid

Drug info:

PubChemData

Smile

C=CCN1[C@H](C(=O)N2C[C@@H](CC2C1=O)O)CC3=CC=CC=C3

DOS

IR

Vibrations