Geometry & MOs

Info

ID:	236478
PubChem CID:	92713395
Reduced:	SO3N5C25H25 (1)
Stoich.:	AB3C5D25E25 (1)
Weight, g/mol:	380.026538
ΔH_f, kcal/mol:	6.87
Dipole, Da:	6.7
IP(EA), eV:	-9.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

DOS

IR

Vibrations