Geometry & MOs

Info

ID:	433423
PubChem CID:	135173560
Reduced:	NO2C14H14 (2)
Stoich.:	AB2C14D14 (2)
Weight, g/mol:	328.156912
ΔH_f, kcal/mol:	-95.35
Dipole, Da:	3.13
IP(EA), eV:	-8.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-(4,5-dihydro-1,3-thiazol-4-yl)-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCOC1=CC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=CC=CC=C4)N=C2

DOS

IR

Vibrations