Geometry & MOs

Info

ID:	286957
PubChem CID:	104223643
Reduced:	SO2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	352.98336
ΔH_f, kcal/mol:	-4.83
Dipole, Da:	8.55
IP(EA), eV:	-9.05(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[(5-bromothiophen-3-yl)methyl-methylamino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)N(C)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations