Geometry & MOs

Info

ID:	308120
PubChem CID:	125317032
Reduced:	N5O5C26H29 (1)
Stoich.:	A5B5C26D29 (1)
Weight, g/mol:	442.167477
ΔH_f, kcal/mol:	-135.58
Dipole, Da:	5.09
IP(EA), eV:	-9.05(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-triethoxy-N-[[(3R)-4-phenyl-5-sulfanylidene-3H-1,2,4-triazol-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N[C@@H](CC1=C2C=CC=CC2=NC1)C(=O)O)NC(=O)N3CC(=O)NC4=CC=CC=C43

DOS

IR

Vibrations