Geometry & MOs

Info

ID:	219504
PubChem CID:	85148770
Reduced:	N4O8C25H34 (1)
Stoich.:	A4B8C25D34 (1)
Weight, g/mol:	518.194754
ΔH_f, kcal/mol:	-341.34
Dipole, Da:	9.27
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[4-[(2-amino-4-oxo-1,4a,6,7-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl)methylamino]benzoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)OC)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(C)C(=O)O

DOS

IR

Vibrations