Geometry & MOs

Info

ID:	242953
PubChem CID:	99214444
Reduced:	SN3O5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-124.26
Dipole, Da:	5.69
IP(EA), eV:	-8.79(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-2-ethoxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C#N)NC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations