Geometry & MOs

Info

ID:	237792
PubChem CID:	92721534
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	429.262757
ΔH_f, kcal/mol:	-63.29
Dipole, Da:	2.25
IP(EA), eV:	-8.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S)-N-cycloheptyl-10-(3-ethoxypropyl)-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)CC4=CC=CS4)(C)C(=O)NC5CCCCCC5

DOS

IR

Vibrations