Geometry & MOs

Info

ID:

335133

PubChem CID:

127253994

Reduced:

SN6O8C35H46 (1)

Stoich.:

AB6C8D35E46 (1)

Weight, g/mol:

368.196074

ΔHf, kcal/mol:

-249.03

Dipole, Da:

2.93

IP(EA), eV:

 -8.56(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-methyl-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](C(C)C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations