Geometry & MOs

Info

ID:

319464

PubChem CID:

126656115

Reduced:

Cl2O4N8C39H48 (1)

Stoich.:

A2B4C8D39E48 (1)

Weight, g/mol:

871.354091

ΔHf, kcal/mol:

-66.4

Dipole, Da:

11.32

IP(EA), eV:

 -8.41(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) N-[2-[2-[5-[[(E)-amino-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-carbamoylamino]indol-1-yl]ethoxy]ethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)C1=C/C(=C\2/NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)CCN(C)C(=O)CCCN=CC5=C(C=CC(=C5)N(CCCl)CCCl)N(C)C)/C(=O)C=C1O

DOS

IR

Vibrations