Geometry & MOs

Info

ID:

329534

PubChem CID:

126737879

Reduced:

N5O5C33H37 (1)

Stoich.:

A5B5C33D37 (1)

Weight, g/mol:

484.211055

ΔHf, kcal/mol:

-122.4

Dipole, Da:

3.19

IP(EA), eV:

 -8.24(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-ethyl-5,6-dimethoxy-15-methyl-13-oxa-2,9,19,21-tetrazapentacyclo[20.2.2.14,8.114,18.012,28]octacosa-1(25),4,6,8,10,12(28),14,16,18(27),22(26),23-undecaen-20-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(CC1)NC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C)OC4=C5C=C(C(=CC5=NC=C4)OC)OC

DOS

IR

Vibrations