Geometry & MOs

Info

ID:	186814
PubChem CID:	77489779
Reduced:	N4O5C37H46 (1)
Stoich.:	A4B5C37D46 (1)
Weight, g/mol:	413.206304
ΔH_f, kcal/mol:	-127.67
Dipole, Da:	10.6
IP(EA), eV:	-8.79(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-[4-(1,3-oxazol-5-yl)anilino]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CCCCCCCCNCC(C4=CC=C(C5=NC(=O)C=CC45)O)O

DOS

IR

Vibrations