Geometry & MOs

Info

ID:	365342
PubChem CID:	127317741
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-97.38
Dipole, Da:	9.65
IP(EA), eV:	-9.19(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(3-methyloxolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations