Geometry & MOs

Info

ID:	77800
PubChem CID:	49661561
Reduced:	O3N4C28H28 (1)
Stoich.:	A3B4C28D28 (1)
Weight, g/mol:	381.114713
ΔH_f, kcal/mol:	-30.96
Dipole, Da:	3.19
IP(EA), eV:	-9.07(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-3-phenyl-2-thiomorpholin-4-ylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3C5=CC=CC=C5)C

DOS

IR

Vibrations