Geometry & MOs

Info

ID:	346507
PubChem CID:	127271011
Reduced:	FSO2N3C18H22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	4.96
IP(EA), eV:	-8.47(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(azepane-1-carbonylamino)phenyl]-5-methyl-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)C(=O)NC2=CC(=CC(=C2)F)N3CCOCC3

DOS

IR

Vibrations