Geometry & MOs

Info

ID:

422268

PubChem CID:

135117535

Reduced:

SN6O9C39H50 (1)

Stoich.:

AB6C9D39E50 (1)

Weight, g/mol:

382.167477

ΔHf, kcal/mol:

-310.24

Dipole, Da:

7.61

IP(EA), eV:

 -8.5(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-4-methyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](COC2=CC=C(C[C@@H](C(=O)N1)NC(=O)C3=CC=C(C=C3)N(C)S(=O)(=O)C)C=C2)CC4=CC=CC=C4)C(C)C)[C@@H](C)O

DOS

IR

Vibrations