Geometry & MOs

Info

ID:

189129

PubChem CID:

77820578

Reduced:

N5O7C27H43 (1)

Stoich.:

A5B7C27D43 (1)

Weight, g/mol:

699.276041

ΔHf, kcal/mol:

-300.45

Dipole, Da:

3.75

IP(EA), eV:

 -9.6(-0.56)

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-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-5-methylphenyl]carbamate

Drug info:

PubChemData

Smile

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C(=O)OCC=C)C(C)(C)C)C(=O)NCC(=O)C(=O)N)C

DOS

IR

Vibrations