Geometry & MOs

Info

ID:	132629
PubChem CID:	51388855
Reduced:	SN4O5C19H30 (1)
Stoich.:	AB4C5D19E30 (1)
Weight, g/mol:	510.163809
ΔH_f, kcal/mol:	-209.36
Dipole, Da:	3.41
IP(EA), eV:	-9.23(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(4-fluorophenyl)methylideneamino]-2-[[5-[(naphthalen-1-ylamino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=C(N(N=C3)C)C

DOS

IR

Vibrations