Geometry & MOs

Info

ID:

189127

PubChem CID:

77820576

Reduced:

O7C21H34 (1)

Stoich.:

A7B21C34 (1)

Weight, g/mol:

655.267584

ΔHf, kcal/mol:

-333.71

Dipole, Da:

3.48

IP(EA), eV:

 -9.94(0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(cyclopropylsulfonylcarbamoyl)-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-en-17-yl] N-[2-(4,5-dihydro-1,3-oxazol-2-yl)-5-methylphenyl]carbamate

Drug info:

PubChemData

Smile

CC1COC(C1O)CC23COC4C2(C(CC3OC(=O)C)C(C)(C)C)C(CO4)O

DOS

IR

Vibrations