Geometry & MOs

Info

ID:

426450

PubChem CID:

135144198

Reduced:

NSH27C38 (1)

Stoich.:

ABC27D38 (1)

Weight, g/mol:

775.27525

ΔHf, kcal/mol:

277.67

Dipole, Da:

2.9

IP(EA), eV:

 -8.14(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3'-[(1Z)-buta-1,3-dienyl]-7'-(4,6-diphenylpyrimidin-2-yl)-2'-methyl-1'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,4'-phosphinoline] 1'-oxide

Drug info:

PubChemData

Smile

CC1=C(C2(C3=CC=CC=C3N4C5=CC=CC=C5C6=C4C2=CC=C6)C7=C(S1)C=CC(=C7)C8=CC=CC=C8)/C=C\C=C

DOS

IR

Vibrations