Geometry & MOs

Info

ID:	368848
PubChem CID:	127330794
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	5.85
IP(EA), eV:	-8.55(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(2-oxoazepan-3-yl)urea

Drug info:

PubChemData

Smile

CNC(=O)C1CCC(CC1)NC(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations