Geometry & MOs

Info

ID:	133623
PubChem CID:	51564133
Reduced:	FSN2O3C18H25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-167.11
Dipole, Da:	5.26
IP(EA), eV:	-9.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-[[(3R)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations