Geometry & MOs

Info

ID:	354769
PubChem CID:	127287529
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-129.46
Dipole, Da:	5.64
IP(EA), eV:	-9.05(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)N2CCS(=O)(=O)CC2)C

DOS

IR

Vibrations