Geometry & MOs

Info

ID:	73725
PubChem CID:	48420096
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-110.69
Dipole, Da:	4.94
IP(EA), eV:	-9.39(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl (E)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCN3C=NC=N3)C

DOS

IR

Vibrations