Geometry & MOs

Info

ID:

336169

PubChem CID:

127255176

Reduced:

SN4O5H22C25 (1)

Stoich.:

AB4C5D22E25 (1)

Weight, g/mol:

572.213364

ΔHf, kcal/mol:

-112.38

Dipole, Da:

3.34

IP(EA), eV:

 -9.42(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-5'-methyl-2'-[4-(2-methylpropyl)benzoyl]-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CC(C)C1=C(N=C(S1)NC(=O)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O)C(=O)OC

DOS

IR

Vibrations