Geometry & MOs

Info

ID:	237773
PubChem CID:	92721416
Reduced:	NOC9H11 (3)
Stoich.:	ABC9D11 (3)
Weight, g/mol:	415.247107
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	4.1
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CN1C(=O)C2=CC3=C(N2C[C@]1(C)C(=O)NC4CCCCCC4)C=CO3)C5=CC=CC=C5

DOS

IR

Vibrations