Geometry & MOs

Info

ID:	128974
PubChem CID:	51064604
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	7.1
IP(EA), eV:	-8.59(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-(4-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)C3CCCCC3)C(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations