Geometry & MOs

Info

ID:	237305
PubChem CID:	92718119
Reduced:	SN4O4C26H34 (1)
Stoich.:	AB4C4D26E34 (1)
Weight, g/mol:	498.230077
ΔH_f, kcal/mol:	-177.2
Dipole, Da:	1.48
IP(EA), eV:	-9.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](COC)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations