Geometry & MOs

Info

ID:	237770
PubChem CID:	92721412
Reduced:	FN3O3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	447.252192
ΔH_f, kcal/mol:	-103.97
Dipole, Da:	5.61
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CN2C3=C(C=C2C(=O)N1CC4=CC=C(C=C4)F)OC=C3)C(=O)NC5CCCCCC5

DOS

IR

Vibrations