Geometry & MOs

Info

ID:	308426
PubChem CID:	125327821
Reduced:	BrOSN3H20C26 (1)
Stoich.:	ABCD3E20F26 (1)
Weight, g/mol:	376.066383
ΔH_f, kcal/mol:	114.64
Dipole, Da:	4.63
IP(EA), eV:	-9.24(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-oxo-N-[(2S)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,5-dihydro-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@H](N=C3C(=CN=C3C2=O)C4=CC=CC=C4)SCC5=CC=C(C=C5)Br

DOS

IR

Vibrations