Geometry & MOs

Info

ID:	347396
PubChem CID:	127272245
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	374.085577
ΔH_f, kcal/mol:	-60.75
Dipole, Da:	5.65
IP(EA), eV:	-9.17(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations