Geometry & MOs

Info

ID:	73729
PubChem CID:	48420105
Reduced:	N4O4H16C17 (1)
Stoich.:	A4B4C16D17 (1)
Weight, g/mol:	358.050254
ΔH_f, kcal/mol:	-58.38
Dipole, Da:	10.06
IP(EA), eV:	-9.29(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OCCN2C=NC=N2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations