Geometry & MOs

Info

ID:	62154
PubChem CID:	26717782
Reduced:	N4O6C23H26 (1)
Stoich.:	A4B6C23D26 (1)
Weight, g/mol:	449.152161
ΔH_f, kcal/mol:	-179.26
Dipole, Da:	2.84
IP(EA), eV:	-9.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-3-[[2-[(5R)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NNC(=O)C3=CC=C(O3)COC4=CC=CC=C4

DOS

IR

Vibrations