Geometry & MOs

Info

ID:	244481
PubChem CID:	99355672
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	422.00482
ΔH_f, kcal/mol:	31.58
Dipole, Da:	5.19
IP(EA), eV:	-8.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-methoxy-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)CC(=O)N[C@H]3CCCN(C3)C4=NC=CC=N4

DOS

IR

Vibrations