Geometry & MOs

Info

ID:	237214
PubChem CID:	92717916
Reduced:	SN3O7C23H27 (1)
Stoich.:	AB3C7D23E27 (1)
Weight, g/mol:	479.199111
ΔH_f, kcal/mol:	-199.77
Dipole, Da:	10.66
IP(EA), eV:	-9.62(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)O[C@@H](C)C(=O)NC3CCCCC3

DOS

IR

Vibrations