Geometry & MOs

Info

ID:

418746

PubChem CID:

135106679

Reduced:

N6O7C33H48 (1)

Stoich.:

A6B7C33D48 (1)

Weight, g/mol:

521.227434

ΔHf, kcal/mol:

-297.72

Dipole, Da:

6.0

IP(EA), eV:

 -9.24(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,20-dimethoxy-9,18-dioxa-1,13,14,15,25-pentazapentacyclo[24.3.1.113,16.119,23.03,8]dotriaconta-3(8),4,6,14,16(32),19,21,23(31)-octaene-2,24-dione

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)CC3CC3)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations