Geometry & MOs

Info

ID:	185091
PubChem CID:	77254050
Reduced:	BrN2O3C25H33 (1)
Stoich.:	AB2C3D25E33 (1)
Weight, g/mol:	515.11489
ΔH_f, kcal/mol:	-98.0
Dipole, Da:	3.33
IP(EA), eV:	-8.97(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(CC1(CN(CCN1C(=O)O)CC2=CC=CC=C2)C(C)(C)C)OC3=CC=CC=C3Br

DOS

IR

Vibrations