Geometry & MOs

Info

ID:	137682
PubChem CID:	52243907
Reduced:	SF2N2O3C19H25 (1)
Stoich.:	AB2C2D3E19F25 (1)
Weight, g/mol:	398.14757
ΔH_f, kcal/mol:	-163.27
Dipole, Da:	6.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.916445
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C[NH+](C)CC(=O)N(C)CC2=CSC=C2)OC(F)F

DOS

IR

Vibrations