Geometry & MOs

Info

ID:	178533
PubChem CID:	76343398
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	455.199111
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	6.02
IP(EA), eV:	-8.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C2=CC=CC=C2NC(=O)C=CC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations