Geometry & MOs

Info

ID:

214769

PubChem CID:

85083608

Reduced:

N6O8C29H44 (1)

Stoich.:

A6B8C29D44 (1)

Weight, g/mol:

604.224323

ΔHf, kcal/mol:

-379.7

Dipole, Da:

9.09

IP(EA), eV:

 -10.05(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[2-ethoxy-2-oxo-1-[5-(phenylsulfanylmethyl)pyrrolidin-2-ylidene]ethyl]amino]-1-(2-methyloxiran-2-yl)-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(CO)N

DOS

IR

Vibrations