Geometry & MOs

Info

ID:	148321
PubChem CID:	53787983
Reduced:	OCl2N3H27C29 (1)
Stoich.:	AB2C3D27E29 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	35.12
Dipole, Da:	6.6
IP(EA), eV:	-9.24(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]methyl]formamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)(CC2=CC=CC=C2)NCC3=NC4=CC=CC=C4C=C3)C(=O)C5=CC(=CC(=C5)Cl)Cl

DOS

IR

Vibrations