Geometry & MOs

Info

ID:	178015
PubChem CID:	76262513
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	378.04015
ΔH_f, kcal/mol:	-157.75
Dipole, Da:	5.43
IP(EA), eV:	-9.58(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromophenyl)-2-methylpropyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CCC(C(=O)N2)C(=O)NCCNC(=O)C3=CC(=C(C=C3)C)F

DOS

IR

Vibrations