Geometry & MOs

Info

ID:	415389
PubChem CID:	135088383
Reduced:	FO3N4C33H43 (1)
Stoich.:	AB3C4D33E43 (1)
Weight, g/mol:	380.101763
ΔH_f, kcal/mol:	-140.85
Dipole, Da:	9.84
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCCN(CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)/C=C/C3=CC=CC=C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations