Geometry & MOs

Info

ID:	123168
PubChem CID:	50836273
Reduced:	O3N5C27H31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	401.042332
ΔH_f, kcal/mol:	-30.08
Dipole, Da:	3.81
IP(EA), eV:	-7.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC2=NC=CN=C2N3CCCC(C3)C(=O)NC4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations