Geometry & MOs

Info

ID:	291801
PubChem CID:	113572097
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	270.115047
ΔH_f, kcal/mol:	-73.46
Dipole, Da:	4.92
IP(EA), eV:	-8.39(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-pyrazol-4-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)NC(=O)[C@@H](CCSC)N

DOS

IR

Vibrations