Geometry & MOs

Info

ID:	445859
PubChem CID:	135269818
Reduced:	NO5C17H20 (2)
Stoich.:	AB5C17D20 (2)
Weight, g/mol:	450.183795
ΔH_f, kcal/mol:	-361.95
Dipole, Da:	3.34
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-aminoethyl)benzenecarboximidoyl] 3-amino-6-(4-propan-2-ylsulfinylphenyl)pyrazine-2-carboximidate

Drug info:

PubChemData

Smile

CC12CC(CC(C1)(N(C2)C(=O)OC(COC3=CC=CC=C3)COC(=O)C=C)C)NC(=O)OC(COC(=O)C=C)OC4=CC=CC=C4

DOS

IR

Vibrations