Geometry & MOs

Info

ID:	347316
PubChem CID:	127272110
Reduced:	OS3N5C13H17 (1)
Stoich.:	AB3C5D13E17 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	29.71
Dipole, Da:	6.79
IP(EA), eV:	-8.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-1-(oxolan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CCSC1=NN=C(S1)NC(=O)N2CCC(CC2)C3=NC=CS3

DOS

IR

Vibrations