Geometry & MOs

Info

ID:

320989

PubChem CID:

126664356

Reduced:

ClFSN4O4C30H42 (1)

Stoich.:

ABCD4E4F30G42 (1)

Weight, g/mol:

598.199224

ΔHf, kcal/mol:

-184.11

Dipole, Da:

3.07

IP(EA), eV:

 -8.6(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@@H](O1)C)(C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CC[C@H]4CN[C@@H]5CCCS(N4C5)(O)O)N

DOS

IR

Vibrations