Geometry & MOs

Info

ID:	238392
PubChem CID:	92741021
Reduced:	N3O4C27H31 (1)
Stoich.:	A3B4C27D31 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-100.2
Dipole, Da:	6.07
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-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)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations