Geometry & MOs

Info

ID:	237787
PubChem CID:	92721524
Reduced:	N3O4C22H31 (1)
Stoich.:	A3B4C22D31 (1)
Weight, g/mol:	451.22712
ΔH_f, kcal/mol:	-138.58
Dipole, Da:	3.18
IP(EA), eV:	-8.68(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11R)-N-cycloheptyl-10-[(4-fluorophenyl)methyl]-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=C3N2C[C@](N(C3=O)CCOC)(C)C(=O)NC4CCCCCC4

DOS

IR

Vibrations