Geometry & MOs

Info

ID:	239819
PubChem CID:	93167070
Reduced:	SN2O4C30H36 (1)
Stoich.:	AB2C4D30E36 (1)
Weight, g/mol:	466.192629
ΔH_f, kcal/mol:	-106.71
Dipole, Da:	0.81
IP(EA), eV:	-8.71(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(CCOC)CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)C(C)C)C=CS3

DOS

IR

Vibrations