Geometry & MOs

Info

ID:	238458
PubChem CID:	92741254
Reduced:	N3O5C26H27 (1)
Stoich.:	A3B5C26D27 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-123.78
Dipole, Da:	6.23
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC=C2C(=O)N1C3=CC4=C(C=C3)OCCO4)C5=CC=CO5)C(=O)NC6CCCC6

DOS

IR

Vibrations