Geometry & MOs

Info

ID:	188131
PubChem CID:	77670868
Reduced:	SN3O5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	-167.77
Dipole, Da:	5.95
IP(EA), eV:	-8.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CN1C(C(C(=O)N(C1=O)C)C(=O)CSC2=CC3=C(C=C2)OCCCO3)N

DOS

IR

Vibrations