Geometry & MOs

Info

ID:	67703
PubChem CID:	46507004
Reduced:	FON5H14C18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	498.175933
ΔH_f, kcal/mol:	64.17
Dipole, Da:	8.03
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-2-thiophen-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=C(N=C2)C3=NC(=NO3)C4=CC=C(C=C4)F)N

DOS

IR

Vibrations