Geometry & MOs

Info

ID:	345359
PubChem CID:	127269659
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-70.09
Dipole, Da:	5.1
IP(EA), eV:	-8.22(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-3-yl)-3-(3,4-dihydro-2H-chromen-6-yl)urea

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCSCC3)OC1

DOS

IR

Vibrations