Geometry & MOs

Info

ID:	157012
PubChem CID:	56405209
Reduced:	BrOSN3H18C19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	20.7
Dipole, Da:	4.5
IP(EA), eV:	-8.8(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)CCNC(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations