Geometry & MOs

Info

ID:	238411
PubChem CID:	92741061
Reduced:	N3O5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	451.192963
ΔH_f, kcal/mol:	-136.38
Dipole, Da:	4.7
IP(EA), eV:	-8.56(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC=C2C(=O)N1CC3=CC(=C(C=C3)OC)OC)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations