Geometry & MOs

Info

ID:	137451
PubChem CID:	52210113
Reduced:	O2N4C14H25 (1)
Stoich.:	A2B4C14D25 (1)
Weight, g/mol:	290.059937
ΔH_f, kcal/mol:	-21.43
Dipole, Da:	7.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.061464
Charge, e:	-1

Chem-info

IUPAC name:

7-(morpholine-4-carbonyl)-2-sulfanylidene-1H-quinazolin-4-olate

Drug info:

PubChemData

Smile

CN1CC[N+](=C2C(=C(C2=O)O)NCCCN(C)C)CC1

DOS

IR

Vibrations