Geometry & MOs

Info

ID:

418066

PubChem CID:

135103456

Reduced:

ClO2N3C19H22 (1)

Stoich.:

AB2C3D19E22 (1)

Weight, g/mol:

590.219906

ΔHf, kcal/mol:

-40.95

Dipole, Da:

4.24

IP(EA), eV:

 -8.73(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=C(O2)CN3CCN4CCNC(=O)C4C3)Cl

DOS

IR

Vibrations