Geometry & MOs

Info

ID:	317216
PubChem CID:	126633400
Reduced:	O6C27H32 (1)
Stoich.:	A6B27C32 (1)
Weight, g/mol:	451.059125
ΔH_f, kcal/mol:	-203.04
Dipole, Da:	6.63
IP(EA), eV:	-9.13(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[3-chloro-5-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]thiophen-2-yl]-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CCC1CC2=C(CO1)C(=O)[C@]3(C(=C(C(=O)O3)/C(=C/C(=O)/C=C/C=C/C=C/C(C)CC)/O)C2)C

DOS

IR

Vibrations