Geometry & MOs

Info

ID:	447582
PubChem CID:	135283997
Reduced:	ClFSO2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	669.172719
ΔH_f, kcal/mol:	-90.65
Dipole, Da:	2.24
IP(EA), eV:	-8.95(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-[(4S)-7-[(2,4-dimethoxyphenyl)methyl-(1,2,4-thiadiazol-5-yl)sulfamoyl]-3,4-dihydro-2H-chromen-4-yl]-3-(4-fluorophenyl)piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)F

DOS

IR

Vibrations