Geometry & MOs

Info

ID:	195807
PubChem CID:	78733099
Reduced:	NSO2C9H12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	394.174236
ΔH_f, kcal/mol:	-169.81
Dipole, Da:	4.93
IP(EA), eV:	-8.89(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCCS2

DOS

IR

Vibrations