Geometry & MOs

Info

ID:	154993
PubChem CID:	56314553
Reduced:	SO2N5H25C26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	44.66
Dipole, Da:	3.7
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCCN(CC2)C(=O)C3=CSC(=N3)C4=CN(N=C4)C5=CC=CC=C5

DOS

IR

Vibrations