Geometry & MOs

Info

ID:	237762
PubChem CID:	92721396
Reduced:	N3O3C26H31 (1)
Stoich.:	A3B3C26D31 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-70.98
Dipole, Da:	2.63
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S)-N-cycloheptyl-11-methyl-10-(3-methylbutyl)-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=C(C=C(C=C1)N2C(=O)C3=CC4=C(N3C[C@]2(C)C(=O)NC5CCCCCC5)C=CO4)C

DOS

IR

Vibrations