Geometry & MOs

Info

ID:	33250
PubChem CID:	7885645
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-155.29
Dipole, Da:	4.11
IP(EA), eV:	-8.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylcarbamoyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCC(CC3)C(=O)OC)C

DOS

IR

Vibrations