Geometry & MOs

Info

ID:	164653
PubChem CID:	74432394
Reduced:	S2N7O10C44H57 (1)
Stoich.:	A2B7C10D44E57 (1)
Weight, g/mol:	254.151809
ΔH_f, kcal/mol:	-357.23
Dipole, Da:	5.88
IP(EA), eV:	-8.72(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-ylidene)propanoate

Drug info:

PubChemData

Smile

CCC1CC1(C(=O)NS(=O)(=O)OC2=CC=CC=C2)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CSC(=N6)NC(C)C

DOS

IR

Vibrations