Geometry & MOs

Info

ID:	252689
PubChem CID:	103113251
Reduced:	ClO2N5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-25.55
Dipole, Da:	2.48
IP(EA), eV:	-9.59(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=NC=C(N2C)Cl)C(=O)OCC(C)C

DOS

IR

Vibrations