Geometry & MOs

Info

ID:	398800
PubChem CID:	135035467
Reduced:	ClN2O2C23H25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	542.243024
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	3.71
IP(EA), eV:	-9.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzyl-N-cyclohexyl-7-oxo-5-phenyl-2,3,4,8,18-pentazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,10,12,14,16-heptaene-9-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=C[C@H](CC[C@H]1NC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)Cl

DOS

IR

Vibrations