Geometry & MOs

Info

ID:	38373
PubChem CID:	8033980
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	38.58
Dipole, Da:	2.76
IP(EA), eV:	-9.01(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-(4-methoxyphenyl)-5-methyl-7-propan-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(=S)N/N=C/1\[C@H]2[C@@H]([C@H]3CO[C@H]1O3)ON=C2C4=CC=C(C=C4)OC

DOS

IR

Vibrations