Geometry & MOs

Info

ID:	358378
PubChem CID:	127295923
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-38.93
Dipole, Da:	6.58
IP(EA), eV:	-8.58(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)NC(=O)N3CCC(C3)N4CCCCC4

DOS

IR

Vibrations