Geometry & MOs

Info

ID:	178649
PubChem CID:	76362259
Reduced:	SN2O2C10H13 (2)
Stoich.:	AB2C2D10E13 (2)
Weight, g/mol:	404.188212
ΔH_f, kcal/mol:	-131.95
Dipole, Da:	7.68
IP(EA), eV:	-8.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl-[[6-(4-methoxyphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]methyl]amino]acetamide

Drug info:

PubChemData

Smile

CN(CC1NC2C(C=C(S2)C3=CC=CC=C3)C(=O)N1)CC(=O)NC4CCS(=O)(=O)C4

DOS

IR

Vibrations