Geometry & MOs

Info

ID:	77808
PubChem CID:	49661593
Reduced:	N4O4C29H30 (1)
Stoich.:	A4B4C29D30 (1)
Weight, g/mol:	413.120941
ΔH_f, kcal/mol:	-71.72
Dipole, Da:	3.89
IP(EA), eV:	-8.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-fluoro-4-methylphenyl)-4-oxo-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=C(C=C5)OC)C

DOS

IR

Vibrations