Geometry & MOs

Info

ID:	60820
PubChem CID:	26702473
Reduced:	BrS2N4O4C18H19 (1)
Stoich.:	AB2C4D4E18F19 (1)
Weight, g/mol:	377.137556
ΔH_f, kcal/mol:	-109.01
Dipole, Da:	10.08
IP(EA), eV:	-8.39(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]oxybenzoate

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)NS(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations