Geometry & MOs

Info

ID:	237756
PubChem CID:	92721303
Reduced:	SO2N4C27H42 (1)
Stoich.:	AB2C4D27E42 (1)
Weight, g/mol:	439.166269
ΔH_f, kcal/mol:	-89.38
Dipole, Da:	6.13
IP(EA), eV:	-8.25(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11R)-10-(4-chlorophenyl)-N-cycloheptyl-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

CCCCN(CC)CCN1C(=O)C2=CC3=C(N2C[C@@]1(C)C(=O)NC4CCCCC4)C=C(S3)CC

DOS

IR

Vibrations