Geometry & MOs

Info

ID:	400022
PubChem CID:	135044600
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	331.97496
ΔH_f, kcal/mol:	-94.21
Dipole, Da:	4.37
IP(EA), eV:	-9.24(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCC1=C(CN(C1=O)C(=O)OC2=CC=CC=C2)C

DOS

IR

Vibrations