Geometry & MOs

Info

ID:	307986
PubChem CID:	125311155
Reduced:	NSC9H15 (1)
Stoich.:	ABC9D15 (1)
Weight, g/mol:	357.125946
ΔH_f, kcal/mol:	42.22
Dipole, Da:	2.67
IP(EA), eV:	-7.26(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-5,6-dimethyl-5,6-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(C)(C)N

DOS

IR

Vibrations