Geometry & MOs

Info

ID:	339470
PubChem CID:	127261403
Reduced:	S2N3O4C17H19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	-102.26
Dipole, Da:	4.87
IP(EA), eV:	-8.93(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(5-amino-6-cyanopyrazin-2-yl)-methylamino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(C)C2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations