Geometry & MOs

Info

ID:	237186
PubChem CID:	92717788
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	427.204196
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	7.45
IP(EA), eV:	-9.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclohexyl-N-methyl-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)N(C)C

DOS

IR

Vibrations