Geometry & MOs

Info

ID:	139207
PubChem CID:	52492143
Reduced:	SN3O4C14H23 (1)
Stoich.:	AB3C4D14E23 (1)
Weight, g/mol:	399.096139
ΔH_f, kcal/mol:	-125.92
Dipole, Da:	8.88
IP(EA), eV:	-9.64(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1R)-1-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=C1)NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2

DOS

IR

Vibrations