Geometry & MOs

Info

ID:	347212
PubChem CID:	127271753
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	377.134403
ΔH_f, kcal/mol:	-85.14
Dipole, Da:	4.81
IP(EA), eV:	-8.2(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1(OC2=C(O1)C=C(C=C2)NC(=O)C3=CN(N=C3C4CCCCC4)C)C

DOS

IR

Vibrations