Geometry & MOs

Info

ID:

320981

PubChem CID:

126664332

Reduced:

ClFSN4O4C31H42 (1)

Stoich.:

ABCD4E4F31G42 (1)

Weight, g/mol:

634.275583

ΔHf, kcal/mol:

-213.08

Dipole, Da:

12.88

IP(EA), eV:

 -8.51(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-amino-3-(4-chlorophenyl)-N-[2-[2-(2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl]-3-fluorophenyl]-3-(2-propan-2-yloxan-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CCOC(C1)CC[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CCC4CNC5CCCS(=O)(=O)N4C5)N

DOS

IR

Vibrations