Geometry & MOs

Info

ID:	245173
PubChem CID:	99437732
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	367.110296
ΔH_f, kcal/mol:	-42.72
Dipole, Da:	11.15
IP(EA), eV:	-8.67(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[2-(pyridin-4-ylmethylsulfanyl)acetyl]amino]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NCCC(=O)NC2=CC=C(C=C2)N3C=CC(=N3)C(=O)N

DOS

IR

Vibrations