Geometry & MOs

Info

ID:	345751
PubChem CID:	127270051
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-5.07
Dipole, Da:	3.06
IP(EA), eV:	-9.09(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations