Geometry & MOs

Info

ID:	156106
PubChem CID:	56369148
Reduced:	S2N3O4C23H29 (1)
Stoich.:	A2B3C4D23E29 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-123.99
Dipole, Da:	8.79
IP(EA), eV:	-8.72(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-benzyl-2-hydroxyphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations