Geometry & MOs

Info

ID:	237293
PubChem CID:	92718101
Reduced:	SO3N4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	454.203862
ΔH_f, kcal/mol:	-136.39
Dipole, Da:	2.33
IP(EA), eV:	-9.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1-adamantylcarbamoyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N=C1S[C@@H](C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations