Geometry & MOs

Info

ID:	181459
PubChem CID:	76747732
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	444.157974
ΔH_f, kcal/mol:	-16.7
Dipole, Da:	4.05
IP(EA), eV:	-8.66(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1C(N=C(O1)N)CCC2=CC=C(C=C2)NC(=O)C3=NC=C(N=C3)C

DOS

IR

Vibrations