Geometry & MOs

Info

ID:	284495
PubChem CID:	104051356
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	366.00222
ΔH_f, kcal/mol:	-81.26
Dipole, Da:	4.09
IP(EA), eV:	-8.5(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-(4-chlorophenyl)ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C1=CSC(=N1)NC2C(C2(C)C)(C)C

DOS

IR

Vibrations