Geometry & MOs

Info

ID:

376650

PubChem CID:

134222673

Reduced:

N4O5C27H44 (1)

Stoich.:

A4B5C27D44 (1)

Weight, g/mol:

764.457159

ΔHf, kcal/mol:

-243.13

Dipole, Da:

8.13

IP(EA), eV:

 -9.88(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1,3,3-trimethyl-5-[3-[[3,3,5-trimethyl-5-[(1-prop-2-enoyloxypropan-2-yloxycarbonylamino)methyl]cyclohexyl]carbamoyloxy]butanoylamino]cyclohexyl]methylcarbamoyloxy]propyl prop-2-enoate

Drug info:

PubChemData

Smile

CC(CC(=O)NC1CC(CC(C1)(C)COC#N)(C)C)OC(=O)NC2CC(CC(C2)(C)CN=C=O)(C)C

DOS

IR

Vibrations