Geometry & MOs

Info

ID:	135874
PubChem CID:	51952051
Reduced:	FOSN5C19H22 (1)
Stoich.:	ABCD5E19F22 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	-5.7
Dipole, Da:	7.82
IP(EA), eV:	-8.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N,N-diethyl-2-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC(=N2)SCC(=O)N(C)[C@H](C)C3=CC=C(C=C3)F)N=C1C)C

DOS

IR

Vibrations