Geometry & MOs

Info

ID:	447722
PubChem CID:	135285114
Reduced:	ClINOF3H4C8 (1)
Stoich.:	ABCDE3F4G8 (1)
Weight, g/mol:	503.196883
ΔH_f, kcal/mol:	-166.59
Dipole, Da:	4.96
IP(EA), eV:	-10.19(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[[5-[2-(1,3-dihydroxy-3-methylcyclobutyl)pyrimidin-5-yl]-2-methylindazol-3-yl]methyl]-8-fluoro-2-methyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(F)(F)F)C(=O)N)Cl)I

DOS

IR

Vibrations