Geometry & MOs

Info

ID:	196892
PubChem CID:	78891513
Reduced:	ClFSO2N3H15C19 (1)
Stoich.:	ABCD2E3F15G19 (1)
Weight, g/mol:	398.114568
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	4.89
IP(EA), eV:	-8.7(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-chlorophenyl)methyl-[1-(4-methylphenyl)triazole-4-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations