Geometry & MOs

Info

ID:	237451
PubChem CID:	92719257
Reduced:	O4N5C24H25 (1)
Stoich.:	A4B5C24D25 (1)
Weight, g/mol:	447.190654
ΔH_f, kcal/mol:	-62.04
Dipole, Da:	1.16
IP(EA), eV:	-8.93(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-4-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-7-phenyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=NC=NN2[C@@H]1C3=CC=CC=C3)CC(=O)NC4=CC(=CC=C4)OC)C

DOS

IR

Vibrations