Geometry & MOs

Info

ID:	214531
PubChem CID:	85083159
Reduced:	N5O6C28H43 (1)
Stoich.:	A5B6C28D43 (1)
Weight, g/mol:	545.296365
ΔH_f, kcal/mol:	-256.05
Dipole, Da:	8.44
IP(EA), eV:	-8.38(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butylsulfanyl-N-methoxy-N,2,6-trimethyl-7-trityloxyhept-4-enamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NO)NC(=O)C(C(C)CC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations