Geometry & MOs

Info

ID:	138088
PubChem CID:	52311450
Reduced:	BrON2S2C14H17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	406.170414
ΔH_f, kcal/mol:	6.98
Dipole, Da:	3.5
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CSC=C1)NC(=O)N(C)CC2=CC=C(S2)Br

DOS

IR

Vibrations