Geometry & MOs

Info

ID:	345377
PubChem CID:	127269677
Reduced:	FN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-142.51
Dipole, Da:	4.11
IP(EA), eV:	-8.28(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-6-yl)-3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)NCC3(CCOCC3)C4=CC=C(C=C4)F)OC1

DOS

IR

Vibrations