Geometry & MOs

Info

ID:	138872
PubChem CID:	52437707
Reduced:	OS2N4C22H32 (1)
Stoich.:	AB2C4D22E32 (1)
Weight, g/mol:	430.186104
ΔH_f, kcal/mol:	43.59
Dipole, Da:	28.48
IP(EA), eV:	-5.39(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)NC(=[NH+][C@@H]2SCC(=O)NC3=CC=C(C=C3)[NH+](CC)CC)CC

DOS

IR

Vibrations