Geometry & MOs

Info

ID:	368101
PubChem CID:	127327477
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	375.146203
ΔH_f, kcal/mol:	-20.67
Dipole, Da:	1.58
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C3=C(C=CC=N3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations