Geometry & MOs

Info

ID:	142569
PubChem CID:	53058751
Reduced:	O3N4H24C27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-15.36
Dipole, Da:	2.31
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)CN2C(=O)N3C4=CC=CC=C4C(=O)N(C3=N2)CCC5=CC=CC=C5

DOS

IR

Vibrations