Geometry & MOs

Info

ID:

415153

PubChem CID:

135088144

Reduced:

O3N5C15H21 (1)

Stoich.:

A3B5C15D21 (1)

Weight, g/mol:

510.247835

ΔHf, kcal/mol:

-39.87

Dipole, Da:

3.12

IP(EA), eV:

 -8.62(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-9,17-dioxo-N-pentyl-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-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)CC(=O)NC3=NN(C=C3)C

DOS

IR

Vibrations