Geometry & MOs

Info

ID:

307402

PubChem CID:

125299805

Reduced:

NO8C27H41 (1)

Stoich.:

AB8C27D41 (1)

Weight, g/mol:

394.109962

ΔHf, kcal/mol:

-340.24

Dipole, Da:

5.42

IP(EA), eV:

 -9.24(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[[(2S)-3-methyl-4-oxo-2H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@H]2[C@H]([C@]3(C[C@@](O2)(C)O)CO3)O)C)NC(=O)/C=C/[C@@H](C)OC(=O)C

DOS

IR

Vibrations