Geometry & MOs

Info

ID:	42902
PubChem CID:	8150164
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	412.115344
ΔH_f, kcal/mol:	-130.26
Dipole, Da:	4.88
IP(EA), eV:	-9.02(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-methoxyphenyl)methyl-methyl-[(1S)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)N(C)CC3=CC(=CC=C3)OC)C

DOS

IR

Vibrations