Geometry & MOs

Info

ID:	324920
PubChem CID:	126678641
Reduced:	SO3F6N6H24C29 (1)
Stoich.:	AB3C6D6E24F29 (1)
Weight, g/mol:	214.131742
ΔH_f, kcal/mol:	-322.44
Dipole, Da:	4.7
IP(EA), eV:	-9.0(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(hydroxymethyl)-N-[2-(methylideneamino)prop-2-enyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(F)(F)F)N\2C(=O)CS/C2=N\C(NC3=CC=C(C=C3)CCC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)O

DOS

IR

Vibrations