Geometry & MOs

Info

ID:	39610
PubChem CID:	8141616
Reduced:	SF2N2O2H18C22 (1)
Stoich.:	AB2C2D2E18F22 (1)
Weight, g/mol:	380.110312
ΔH_f, kcal/mol:	-103.26
Dipole, Da:	6.96
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C(=O)NCC(=O)NC2=CC(=C(C=C2)F)F)SC3=CC=CC=C3

DOS

IR

Vibrations