Geometry & MOs

Info

ID:	175356
PubChem CID:	75887139
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	422.181727
ΔH_f, kcal/mol:	-171.19
Dipole, Da:	5.36
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-4-[[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations