Geometry & MOs

Info

ID:	326742
PubChem CID:	126688117
Reduced:	INSH10C18 (1)
Stoich.:	ABCD10E18 (1)
Weight, g/mol:	473.304228
ΔH_f, kcal/mol:	96.89
Dipole, Da:	3.61
IP(EA), eV:	-8.4(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]heptanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C3)NC5=C4C=C(C=C5)I

DOS

IR

Vibrations