Geometry & MOs

Info

ID:	336205
PubChem CID:	127255212
Reduced:	SO2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-41.67
Dipole, Da:	2.99
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations