Geometry & MOs

Info

ID:	141057
PubChem CID:	52811234
Reduced:	ClOSN5H18C19 (1)
Stoich.:	ABCD5E18F19 (1)
Weight, g/mol:	435.06161
ΔH_f, kcal/mol:	61.29
Dipole, Da:	7.69
IP(EA), eV:	-9.36(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SC2=C(C=C(C=C2)Cl)NC(=O)[C@@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations