Geometry & MOs

Info

ID:	160205
PubChem CID:	57309166
Reduced:	N3O10H11C21 (1)
Stoich.:	A3B10C11D21 (1)
Weight, g/mol:	474.1647
ΔH_f, kcal/mol:	-274.16
Dipole, Da:	8.32
IP(EA), eV:	-10.87(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[5-[(2S)-2-[2-(oxan-2-yloxyamino)-2-oxoethyl]thian-2-yl]thiophen-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(=O)OC(=O)C2=C(N=CC=C2)C(=O)OC(=O)C3=C(N=CC=C3)C(=O)O)C(=O)O

DOS

IR

Vibrations