Geometry & MOs

Info

ID:	165932
PubChem CID:	74616328
Reduced:	ClN2O5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	415.112126
ΔH_f, kcal/mol:	-170.48
Dipole, Da:	3.61
IP(EA), eV:	-9.33(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methoxy]-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2C13C(=O)N(C(=O)N3)CC(COCC4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations