Geometry & MOs

Info

ID:	237456
PubChem CID:	92719263
Reduced:	O4N5C25H27 (1)
Stoich.:	A4B5C25D27 (1)
Weight, g/mol:	461.206304
ΔH_f, kcal/mol:	-66.63
Dipole, Da:	0.79
IP(EA), eV:	-8.42(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-4-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methyl-7-phenyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2C(=C([C@H](N3C2=NC=N3)C4=CC=CC=C4)C(=O)OCC)C

DOS

IR

Vibrations