Geometry & MOs

Info

ID:	89918
PubChem CID:	49965358
Reduced:	NSO3H7C9 (2)
Stoich.:	ABC3D7E9 (2)
Weight, g/mol:	422.098352
ΔH_f, kcal/mol:	-167.47
Dipole, Da:	7.56
IP(EA), eV:	-8.87(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-benzyl-N-(1,3,4-thiadiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=C(C4=C(S3)C(=O)C=C(N4)O)C(=O)N

DOS

IR

Vibrations