Geometry & MOs

Info

ID:	239839
PubChem CID:	93167100
Reduced:	SN2O3C27H38 (1)
Stoich.:	AB2C3D27E38 (1)
Weight, g/mol:	442.229014
ΔH_f, kcal/mol:	-121.65
Dipole, Da:	2.19
IP(EA), eV:	-8.53(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)C(C)C)C=CS2)C(C)C

DOS

IR

Vibrations