Geometry & MOs

Info

ID:

418379

PubChem CID:

135104441

Reduced:

S2N7O7C33H47 (1)

Stoich.:

A2B7C7D33E47 (1)

Weight, g/mol:

365.173942

ΔHf, kcal/mol:

-280.01

Dipole, Da:

6.62

IP(EA), eV:

 -8.95(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3,5-dimethyl-1,2-oxazol-4-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N1)C)C(C)C)C(=O)CO)CC3=CC=CC=C3)CCSC

DOS

IR

Vibrations