Geometry & MOs

Info

ID:	138986
PubChem CID:	52455295
Reduced:	SN2O4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	359.08848
ΔH_f, kcal/mol:	-140.8
Dipole, Da:	2.92
IP(EA), eV:	-9.41(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(4-bromophenyl)-N-[(2R)-butan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations