Geometry & MOs

Info

ID:	314935
PubChem CID:	126623988
Reduced:	FO3N7C30H32 (1)
Stoich.:	AB3C7D30E32 (1)
Weight, g/mol:	327.078996
ΔH_f, kcal/mol:	-72.3
Dipole, Da:	4.08
IP(EA), eV:	-8.45(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-carbamothioyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2CCC(CCN2C(=O)CN3C=C(C4=C3C=CC(=C4)C5=C6CCCN6N=C5)C(=O)N)F

DOS

IR

Vibrations