Geometry & MOs

Info

ID:	431669
PubChem CID:	135171765
Reduced:	O3N5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	393.09139
ΔH_f, kcal/mol:	-53.77
Dipole, Da:	10.44
IP(EA), eV:	-8.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(5-chloro-2-methoxyphenyl)sulfanylamino]-2-methoxypyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=NN=C(C=C3)C#N

DOS

IR

Vibrations