Geometry & MOs

Info

ID:	39300
PubChem CID:	8140126
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	365.167674
ΔH_f, kcal/mol:	-123.77
Dipole, Da:	3.52
IP(EA), eV:	-8.51(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)COC3=CC=CC=C3OC

DOS

IR

Vibrations