Geometry & MOs

Info

ID:	364349
PubChem CID:	127315489
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-28.35
Dipole, Da:	4.04
IP(EA), eV:	-8.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-methyl-1H-indazole-7-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC3=C(N2)C=CC4=CC=CC=C43)C(=O)N5CCSCC5

DOS

IR

Vibrations