Geometry & MOs

Info

ID:	132197
PubChem CID:	51319297
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	4.61
IP(EA), eV:	-7.96(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

COCC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCCC3

DOS

IR

Vibrations