Geometry & MOs

Info

ID:	142571
PubChem CID:	53059596
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-148.58
Dipole, Da:	4.31
IP(EA), eV:	-9.38(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=C(C(=C(N2)C)S(=O)(=O)N3CCOCC3)C

DOS

IR

Vibrations