Geometry & MOs

Info

ID:	62702
PubChem CID:	26736256
Reduced:	O2S2N3H21C24 (1)
Stoich.:	A2B2C3D21E24 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	25.72
Dipole, Da:	7.29
IP(EA), eV:	-8.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2SC3=NC=NC4=C3C5=C(S4)CCC5

DOS

IR

Vibrations