Geometry & MOs

Info

ID:	165798
PubChem CID:	74599611
Reduced:	SN3O3C26H38 (1)
Stoich.:	AB3C3D26E38 (1)
Weight, g/mol:	436.260017
ΔH_f, kcal/mol:	-112.67
Dipole, Da:	3.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.115672
Charge, e:	1

Chem-info

IUPAC name:

[2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1-phenylethyl]-diethylazanium

Drug info:

PubChemData

Smile

CC[NH+](CC)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C)C3=CC=CC=C3

DOS

IR

Vibrations