Geometry & MOs

Info

ID:

80391

PubChem CID:

49834274

Reduced:

N3O4C16H24 (2)

Stoich.:

A3B4C16D24 (2)

Weight, g/mol:

478.203862

ΔHf, kcal/mol:

-379.91

Dipole, Da:

11.45

IP(EA), eV:

 -9.39(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@@H]3CCCN3

DOS

IR

Vibrations