Geometry & MOs

Info

ID:	236477
PubChem CID:	92713385
Reduced:	SN4O4C24H28 (1)
Stoich.:	AB4C4D24E28 (1)
Weight, g/mol:	475.167811
ΔH_f, kcal/mol:	-66.74
Dipole, Da:	3.18
IP(EA), eV:	-8.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]butanamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCC3=NC(=NO3)CS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations