Geometry & MOs

Info

ID:	404428
PubChem CID:	135066283
Reduced:	NF2O3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	493.18577
ΔH_f, kcal/mol:	-245.16
Dipole, Da:	4.9
IP(EA), eV:	-10.0(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[(3S)-4-(dicyanomethylidene)-2,3-dihydrothiochromen-3-yl]heptyl]-2,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(C(=O)C2=CC=CC=C2)(F)F

DOS

IR

Vibrations