Geometry & MOs

Info

ID:	33893
PubChem CID:	7888615
Reduced:	N3O5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	390.151433
ΔH_f, kcal/mol:	-179.89
Dipole, Da:	6.24
IP(EA), eV:	-8.74(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

C[C@H](C(C)C)NC(=O)CN1C(=O)C(=O)N(C1=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations