Geometry & MOs

Info

ID:	241033
PubChem CID:	93621270
Reduced:	SN3O5C14H17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-173.26
Dipole, Da:	5.49
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-methyl-6-oxo-1-phenyl-N-[(1R)-1-pyridin-2-ylethyl]-2,5-dihydro-1,2,4-triazine-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C[C@@H](OC2=CC=CC=C21)C(=O)N3CCNC(=O)C3

DOS

IR

Vibrations