Geometry & MOs

Info

ID:	236920
PubChem CID:	92716273
Reduced:	FO2N4C31H39 (1)
Stoich.:	AB2C4D31E39 (1)
Weight, g/mol:	467.260649
ΔH_f, kcal/mol:	-98.38
Dipole, Da:	9.04
IP(EA), eV:	-8.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R)-N,8-di(cycloheptyl)-4,5-dimethyl-7-oxo-3-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene-9-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN2C3=C(C=C(C=C3)F)C(=C2C(=O)N1C4CCCCCC4)N5C=CC=C5)C(=O)NC6CCCCCC6

DOS

IR

Vibrations