Geometry & MOs

Info

ID:	237311
PubChem CID:	92718151
Reduced:	ClN2O5H21C26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	495.143962
ΔH_f, kcal/mol:	-137.45
Dipole, Da:	4.01
IP(EA), eV:	-9.51(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)NC(=O)COC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations