Geometry & MOs

Info

ID:	195815
PubChem CID:	78734441
Reduced:	FOS2N3H14C19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	413.115775
ΔH_f, kcal/mol:	49.13
Dipole, Da:	3.35
IP(EA), eV:	-8.92(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-3-(4-nitrophenyl)-1-[(4-oxo-4aH-quinazolin-2-yl)methyl]thiourea

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC=C(C=C2)F)SC3=NC(=CS3)C4=CC=CC=C4

DOS

IR

Vibrations