Geometry & MOs

Info

ID:

313518

PubChem CID:

126615274

Reduced:

SF2N2O5C26H30 (1)

Stoich.:

AB2C2D5E26F30 (1)

Weight, g/mol:

510.163614

ΔHf, kcal/mol:

-251.46

Dipole, Da:

3.84

IP(EA), eV:

 -7.28(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(1R)-1-[[3,5-difluoro-4-(trimethyl-lambda4-sulfanyl)phenyl]carbamoyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethoxy]acetic acid

Drug info:

PubChemData

Smile

CS(C)(C)C1=C(C=C(C=C1F)NC(=O)[C@H]2C3=C(CCN2C(=O)CCCC(=O)O)C4=C(CCO4)C=C3)F

DOS

IR

Vibrations