Geometry & MOs

Info

ID:

395975

PubChem CID:

135027076

Reduced:

SN2O3C35H37 (2)

Stoich.:

AB2C3D35E37 (2)

Weight, g/mol:

326.13789

ΔHf, kcal/mol:

-53.29

Dipole, Da:

2.49

IP(EA), eV:

 -7.88(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-ethyl-N-[(3R)-2'-(1H-imidazol-5-yl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl]carbamate

Drug info:

PubChemData

Smile

CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC=C(S3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)C1=O)C7=CC=C(S7)C8=CC=C(C=C8)N(C9=CC=C(C=C9)OC)C1=CC=C(C=C1)OC

DOS

IR

Vibrations