Geometry & MOs

Info

ID:	41774
PubChem CID:	8147088
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	408.174573
ΔH_f, kcal/mol:	-102.67
Dipole, Da:	5.51
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C(C)C)NCC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

DOS

IR

Vibrations