Geometry & MOs

Info

ID:	192472
PubChem CID:	78272989
Reduced:	SN3O4H25C29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	478.215095
ΔH_f, kcal/mol:	-28.5
Dipole, Da:	7.36
IP(EA), eV:	-8.61(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-4H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

C1CC(=CC2=CC=CC=C2)C3=C(C1)C(N(N3)C(=O)CN4C(=O)C5=CC=CC=C5S4(=O)=O)C6=CC=CC=C6

DOS

IR

Vibrations