Geometry & MOs

Info

ID:

190545

PubChem CID:

78019402

Reduced:

SiO6C30H54 (1)

Stoich.:

AB6C30D54 (1)

Weight, g/mol:

796.452348

ΔHf, kcal/mol:

-366.95

Dipole, Da:

2.7

IP(EA), eV:

 -8.8(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[[2-[(4-acetyl-5-methyl-3-phenyl-1H-pyrrole-2-carbonyl)amino]-2-cyclohexylacetyl]amino]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-9,9-dimethyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodecane-2-carboxamide

Drug info:

PubChemData

Smile

CCCCOC(CCC(C)(C)[Si](C)(C)O)C(C(COC(=O)C1=CC=CC=C1)OCCCC)OCCCC

DOS

IR

Vibrations