Geometry & MOs

Info

ID:

178998

PubChem CID:

76415731

Reduced:

ClFN9O16C51H69 (1)

Stoich.:

ABC9D16E51F69 (1)

Weight, g/mol:

592.341341

ΔHf, kcal/mol:

-786.51

Dipole, Da:

10.11

IP(EA), eV:

 -9.26(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-2-butyl-1-(4-cyanophenyl)-10-(diethylamino)-9-(furan-3-carbonyl)-9-azatricyclo[4.3.1.03,7]decane-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC(=C(C=C1)Cl)F)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations