Geometry & MOs

Info

ID:

215504

PubChem CID:

85084834

Reduced:

O3N9C23H35 (2)

Stoich.:

A3B9C23D35 (2)

Weight, g/mol:

970.386061

ΔHf, kcal/mol:

-199.15

Dipole, Da:

15.01

IP(EA), eV:

 -8.46(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[tert-butyl(dimethyl)silyl]oxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-[[2-[[9-[tert-butyl(dimethyl)silyl]oxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]amino]-2-oxoethyl]disulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations