Geometry & MOs

Info

ID:	139285
PubChem CID:	52503277
Reduced:	FO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	379.091452
ΔH_f, kcal/mol:	-80.25
Dipole, Da:	4.88
IP(EA), eV:	-8.98(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)[C@@H](C)CNC(=O)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations