Geometry & MOs

Info

ID:	67635
PubChem CID:	46506862
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	457.167142
ΔH_f, kcal/mol:	-109.79
Dipole, Da:	5.42
IP(EA), eV:	-9.1(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1CN2C(=O)C3=C(C=CS3)NC2=O)C(=O)NCCCC4=CC=CC=C4

DOS

IR

Vibrations