Geometry & MOs

Info

ID:	195999
PubChem CID:	78763433
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	428.188212
ΔH_f, kcal/mol:	-32.1
Dipole, Da:	1.02
IP(EA), eV:	-8.58(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations