Geometry & MOs

Info

ID:	81473
PubChem CID:	49854766
Reduced:	N3O6H23C27 (1)
Stoich.:	A3B6C23D27 (1)
Weight, g/mol:	481.163771
ΔH_f, kcal/mol:	-114.93
Dipole, Da:	10.12
IP(EA), eV:	-9.36(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-benzhydryl-1-hydroxy-8,9-dioxo-2-(pyridin-2-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2C[C@@H](N3C=C(C(=O)C(=O)C3=C2O)C(=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations