Geometry & MOs

Info

ID:	142570
PubChem CID:	53059562
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-148.95
Dipole, Da:	4.63
IP(EA), eV:	-8.59(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[(4-methylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=C(NC(=C2C)C(=O)NC3=CC=CC=C3OC)C

DOS

IR

Vibrations