Geometry & MOs

Info

ID:	132805
PubChem CID:	51424128
Reduced:	SO2N4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	413.213698
ΔH_f, kcal/mol:	-7.11
Dipole, Da:	4.39
IP(EA), eV:	-9.26(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(cyclohexylmethyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

DOS

IR

Vibrations