Geometry & MOs

Info

ID:	81569
PubChem CID:	49854874
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	482.08412
ΔH_f, kcal/mol:	-56.36
Dipole, Da:	11.22
IP(EA), eV:	-8.12(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-benzhydryl-7-bromo-1-hydroxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-8,9-dione

Drug info:

PubChemData

Smile

CN(C)C1=CN2[C@H](CN(C(=C2C(=O)C1=O)O)CCOC)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations