Geometry & MOs

Info

ID:

415034

PubChem CID:

135088014

Reduced:

FSN7O9C37H50 (1)

Stoich.:

ABC7D9E37F50 (1)

Weight, g/mol:

310.10842

ΔHf, kcal/mol:

-430.44

Dipole, Da:

4.14

IP(EA), eV:

 -9.18(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)CN(C3=CC(=CC=C3)F)S(=O)(=O)C)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations