Geometry & MOs

Info

ID:	218787
PubChem CID:	85089971
Reduced:	NSCl3O5C20H36 (1)
Stoich.:	ABC3D5E20F36 (1)
Weight, g/mol:	508.198966
ΔH_f, kcal/mol:	-297.77
Dipole, Da:	2.49
IP(EA), eV:	-9.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamimidoylphenyl)methyl]-1-chloro-3-[2-(4-hydroxyphenyl)ethylamino]-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOCCSCC(C(=O)O)NC(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations