Geometry & MOs

Info

ID:	69103
PubChem CID:	46518451
Reduced:	SO3N6C18H18 (1)
Stoich.:	AB3C6D18E18 (1)
Weight, g/mol:	423.093601
ΔH_f, kcal/mol:	60.49
Dipole, Da:	6.65
IP(EA), eV:	-9.03(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations