Geometry & MOs

Info

ID:	122581
PubChem CID:	50813109
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	-55.05
Dipole, Da:	4.13
IP(EA), eV:	-8.54(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-tert-butyl-2-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)NC(=O)C)C(C)C(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations