Geometry & MOs

Info

ID:

189006

PubChem CID:

77802498

Reduced:

N2O4C27H30 (1)

Stoich.:

A2B4C27D30 (1)

Weight, g/mol:

433.175004

ΔHf, kcal/mol:

-95.23

Dipole, Da:

4.2

IP(EA), eV:

 -8.75(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl)ethyl]guanidine

Drug info:

PubChemData

Smile

CC(C(CCC1=CN=CC=C1)O)OC2=CC3=C(C=C2)C=C(C=C3)C(=O)C=CN4CCOCC4

DOS

IR

Vibrations