Geometry & MOs

Info

ID:	63716
PubChem CID:	26759037
Reduced:	SN3O4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	365.107479
ΔH_f, kcal/mol:	-95.17
Dipole, Da:	6.57
IP(EA), eV:	-8.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C)S(=O)(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations