Geometry & MOs

Info

ID:	302767
PubChem CID:	124394913
Reduced:	ClNS2O5H16C23 (1)
Stoich.:	ABC2D5E16F23 (1)
Weight, g/mol:	455.162725
ΔH_f, kcal/mol:	-107.4
Dipole, Da:	4.91
IP(EA), eV:	-9.05(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[(1S)-1-[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(O1)CN2C(=O)/C(=C/C3=CC=CC=C3SC4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations