Geometry & MOs

Info

ID:	133092
PubChem CID:	51474921
Reduced:	SO3N5H25C26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	487.167811
ΔH_f, kcal/mol:	-7.44
Dipole, Da:	5.99
IP(EA), eV:	-8.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=NN=C2S[C@@H](C)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations