Geometry & MOs

Info

ID:	237303
PubChem CID:	92718115
Reduced:	ClSN3O4H24C25 (1)
Stoich.:	ABC3D4E24F25 (1)
Weight, g/mol:	498.230077
ΔH_f, kcal/mol:	-88.4
Dipole, Da:	2.28
IP(EA), eV:	-8.99(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1-adamantylcarbamoyl)-2-[3-[(2R)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@H](COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(O3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations