Geometry & MOs

Info

ID:	42111
PubChem CID:	8149201
Reduced:	S2N3O3H17C20 (1)
Stoich.:	A2B3C3D17E20 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-36.49
Dipole, Da:	3.6
IP(EA), eV:	-8.87(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylamino]benzoate

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NC4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations