Geometry & MOs

Info

ID:

219964

PubChem CID:

85165092

Reduced:

N5O5C36H41 (1)

Stoich.:

A5B5C36D41 (1)

Weight, g/mol:

623.255288

ΔHf, kcal/mol:

-61.39

Dipole, Da:

2.05

IP(EA), eV:

-7.86(-1.78)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[2-ethylsulfanyl-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxy-4-(propan-2-ylcarbamoyloxy)oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)NC)C(=O)OC)CCC(=O)OC)C)C)C=C)C

DOS

IR

Vibrations