Geometry & MOs

Info

ID:	178208
PubChem CID:	76294935
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	446.195405
ΔH_f, kcal/mol:	-57.77
Dipole, Da:	6.68
IP(EA), eV:	-8.89(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-7-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]-4aH-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3SC(C)C

DOS

IR

Vibrations