Geometry & MOs

Info

ID:	42211
PubChem CID:	8149311
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	359.208316
ΔH_f, kcal/mol:	-167.68
Dipole, Da:	6.57
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]benzoyl]amino]ethyl-diethylazanium

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CC2=NC3=C(C(=C(S3)C(=O)OCCOC)C)C(=O)N2)C

DOS

IR

Vibrations