Geometry & MOs

Info

ID:	186566
PubChem CID:	77445787
Reduced:	N3O9C17H27 (1)
Stoich.:	A3B9C17D27 (1)
Weight, g/mol:	434.098352
ΔH_f, kcal/mol:	-389.1
Dipole, Da:	5.06
IP(EA), eV:	-9.63(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(6-methyl-3a,7a-dihydro-1H-benzimidazol-2-yl)sulfanyl]thiophen-2-yl]-1,6,7,8-tetrahydropyrazolo[3,4-b][1,7]naphthyridin-5-one

Drug info:

PubChemData

Smile

CC(=O)NC1C(C=C(OC1(C(C(COC(=O)C)OC(=O)C)OC)N)C(=O)OC)N

DOS

IR

Vibrations