Geometry & MOs

Info

ID:	330767
PubChem CID:	127248174
Reduced:	SO2N4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	438.205576
ΔH_f, kcal/mol:	-59.66
Dipole, Da:	6.36
IP(EA), eV:	-8.49(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(3-methoxyanilino)-6-methylpyridin-2-yl]pyrrolidin-1-yl]-quinolin-6-ylmethanone

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCC(C1)C2=NC(=CC(=C2)NC3=CC=C(C=C3)C)C

DOS

IR

Vibrations