Geometry & MOs

Info

ID:	61853
PubChem CID:	26714214
Reduced:	BrClSN2O3C17H18 (1)
Stoich.:	ABCD2E3F17G18 (1)
Weight, g/mol:	373.06774
ΔH_f, kcal/mol:	-84.72
Dipole, Da:	2.37
IP(EA), eV:	-9.59(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-bromophenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Br)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations