Geometry & MOs

Info

ID:	38614
PubChem CID:	8137250
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	359.119129
ΔH_f, kcal/mol:	-11.88
Dipole, Da:	3.33
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] (Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN(C=C2C(=O)NCC(=O)NC3CC3)C4=CC=CC=C4

DOS

IR

Vibrations