Geometry & MOs

Info

ID:	132804
PubChem CID:	51424127
Reduced:	SO2N3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	-36.08
Dipole, Da:	2.25
IP(EA), eV:	-9.35(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

DOS

IR

Vibrations