Geometry & MOs

Info

ID:	177799
PubChem CID:	76231877
Reduced:	SN4O7C21H28 (1)
Stoich.:	AB4C7D21E28 (1)
Weight, g/mol:	432.092597
ΔH_f, kcal/mol:	-213.95
Dipole, Da:	8.84
IP(EA), eV:	-9.81(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-5-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CC(=O)NC3C2CC(CC3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations