Geometry & MOs

Info

ID:	237839
PubChem CID:	92721890
Reduced:	SN3O3C28H35 (1)
Stoich.:	AB3C3D28E35 (1)
Weight, g/mol:	449.213698
ΔH_f, kcal/mol:	-80.81
Dipole, Da:	7.59
IP(EA), eV:	-8.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCCNC(=O)[C@]1(CN2C3=CC=CC=C3C=C2C(=O)N1CCC4=CC=C(C=C4)SC)C

DOS

IR

Vibrations