Geometry & MOs

Info

ID:	31733
PubChem CID:	3288072
Reduced:	ClN3O6C24H26 (1)
Stoich.:	AB3C6D24E26 (1)
Weight, g/mol:	571.172817
ΔH_f, kcal/mol:	-195.77
Dipole, Da:	2.84
IP(EA), eV:	-8.68(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-butylamino]-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N(C1CC(=O)N(C1=O)C2=CC=C(C=C2)OC)NC(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations