Geometry & MOs

Info

ID:	132806
PubChem CID:	51424129
Reduced:	SO2N3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	413.213698
ΔH_f, kcal/mol:	-89.71
Dipole, Da:	2.56
IP(EA), eV:	-9.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

DOS

IR

Vibrations