Geometry & MOs

Info

ID:	39382
PubChem CID:	8140565
Reduced:	OSN2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	379.183324
ΔH_f, kcal/mol:	-1.65
Dipole, Da:	1.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.993526
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C)C

DOS

IR

Vibrations