Geometry & MOs

Info

ID:	359231
PubChem CID:	127297650
Reduced:	ClSN3O4C14H18 (1)
Stoich.:	ABC3D4E14F18 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-138.48
Dipole, Da:	3.85
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)NC2CC(=O)N(C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations