Geometry & MOs

Info

ID:	136780
PubChem CID:	52099466
Reduced:	ClSN4O5H17C22 (1)
Stoich.:	ABC4D5E17F22 (1)
Weight, g/mol:	427.03466
ΔH_f, kcal/mol:	-71.47
Dipole, Da:	6.2
IP(EA), eV:	-9.31(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-2-[[(4R)-2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations