Geometry & MOs

Info

ID:	443855
PubChem CID:	135260171
Reduced:	SN3F5O5H30C32 (1)
Stoich.:	AB3C5D5E30F32 (1)
Weight, g/mol:	409.186238
ΔH_f, kcal/mol:	-351.67
Dipole, Da:	8.59
IP(EA), eV:	-9.28(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-[(Z)-1-aminooxy-2-(1-methyltetrazol-5-yl)-2-phenylethenyl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2(CC(=CC=C2C3=CC(=NN3C)C(C(C)(C)O)(F)F)C4=CC=CC=C4)S(=O)(=O)C)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations