Geometry & MOs

Info

ID:	404273
PubChem CID:	135065640
Reduced:	NF2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	451.138819
ΔH_f, kcal/mol:	-226.92
Dipole, Da:	3.13
IP(EA), eV:	-9.59(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](C1=CC=CO1)C(C(=O)C2=CC=CC=C2)(F)F

DOS

IR

Vibrations