Geometry & MOs

Info

ID:	40745
PubChem CID:	8144630
Reduced:	SO2N3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	414.148752
ΔH_f, kcal/mol:	23.97
Dipole, Da:	5.02
IP(EA), eV:	-8.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(4-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C5CC5

DOS

IR

Vibrations