Geometry & MOs

Info

ID:	152796
PubChem CID:	56311867
Reduced:	OSN2C22H28 (1)
Stoich.:	ABC2D22E28 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	9.01
Dipole, Da:	2.18
IP(EA), eV:	-8.83(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[cyclopropylmethyl(1-phenylethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CCC(=O)NC2=CC=CC=C2SC)CC3CC3

DOS

IR

Vibrations