Geometry & MOs

Info

ID:	225780
PubChem CID:	87226062
Reduced:	NaO2N3C5H13 (1)
Stoich.:	AB2C3D5E13 (1)
Weight, g/mol:	429.135842
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	7.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765446
Charge, e:	0

Chem-info

IUPAC name:

N-methoxy-2-[N-methoxy-C-(3,4,5-trimethoxyphenyl)carbonimidoyl]-4-(1,3-thiazol-2-yl)aniline

Drug info:

PubChemData

Smile

CCN(C(C)C)N(N=O)O.[Na]

DOS

IR

Vibrations