Geometry & MOs

Info

ID:	414722
PubChem CID:	135087683
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-27.0
Dipole, Da:	5.33
IP(EA), eV:	-8.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CN1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations