Geometry & MOs

Info

ID:	243204
PubChem CID:	99216947
Reduced:	SN2O4C18H32 (1)
Stoich.:	AB2C4D18E32 (1)
Weight, g/mol:	399.169525
ΔH_f, kcal/mol:	-225.67
Dipole, Da:	7.38
IP(EA), eV:	-9.63(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one

Drug info:

PubChemData

Smile

CCCCN([C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)NC(=O)C2CCCCC2

DOS

IR

Vibrations