Geometry & MOs

Info

ID:	146933
PubChem CID:	53773998
Reduced:	ClFN2O2C17H18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	310.077599
ΔH_f, kcal/mol:	-59.0
Dipole, Da:	2.67
IP(EA), eV:	-9.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-(2-oxochromen-3-yl)phenyl]thiourea

Drug info:

PubChemData

Smile

CCOC(C)ON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations