Geometry & MOs

Info

ID:	244308
PubChem CID:	99319777
Reduced:	S2O3N4C21H24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	439.150053
ΔH_f, kcal/mol:	-38.98
Dipole, Da:	3.79
IP(EA), eV:	-9.25(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)NC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations