Geometry & MOs

Info

ID:

313507

PubChem CID:

126615182

Reduced:

FN3O5C36H40 (1)

Stoich.:

AB3C5D36E40 (1)

Weight, g/mol:

551.190163

ΔHf, kcal/mol:

-209.23

Dipole, Da:

6.86

IP(EA), eV:

 -8.74(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[(1R)-1-[[3,5-difluoro-4-(trimethyl-lambda4-sulfanyl)phenyl]carbamoyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]azetidin-3-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C(N(CC2)C(=O)N3CC(C3)CC(=O)OCC4=CC=CC=C4)C(=O)NC5=CC6=C(C(=C5)F)C(CC6)(C)C

DOS

IR

Vibrations