Geometry & MOs

Info

ID:	63779
PubChem CID:	26759174
Reduced:	ClNSF2O3H14C17 (1)
Stoich.:	ABCD2E3F14G17 (1)
Weight, g/mol:	397.03062
ΔH_f, kcal/mol:	-180.04
Dipole, Da:	3.99
IP(EA), eV:	-8.91(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations