Geometry & MOs

Info

ID:	62695
PubChem CID:	26736238
Reduced:	ClN2O4H17C23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	426.197714
ΔH_f, kcal/mol:	-81.45
Dipole, Da:	4.36
IP(EA), eV:	-8.72(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations