Geometry & MOs

Info

ID:	139720
PubChem CID:	52584601
Reduced:	SN2O2C24H32 (1)
Stoich.:	AB2C2D24E32 (1)
Weight, g/mol:	479.245392
ΔH_f, kcal/mol:	-91.11
Dipole, Da:	6.54
IP(EA), eV:	-8.54(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6R)-2-[[2-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1NC(=O)C2=CC3=C(S2)CC[C@@H](C3)C(C)(C)C)C(=O)C

DOS

IR

Vibrations