Geometry & MOs

Info

ID:	239835
PubChem CID:	93167094
Reduced:	SN2O3C26H36 (1)
Stoich.:	AB2C3D26E36 (1)
Weight, g/mol:	496.185435
ΔH_f, kcal/mol:	-123.43
Dipole, Da:	3.74
IP(EA), eV:	-8.61(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC[C@H]2C3=C(CCN2C(=O)CN(C(C)C)C(=O)C(C)C)SC=C3

DOS

IR

Vibrations