Geometry & MOs

Info

ID:	347464
PubChem CID:	127272313
Reduced:	FSO2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	388.118985
ΔH_f, kcal/mol:	-66.23
Dipole, Da:	4.34
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)F)CNC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations