Geometry & MOs

Info

ID:	64405
PubChem CID:	29199771
Reduced:	ClSN3O4C24H26 (1)
Stoich.:	ABC3D4E24F26 (1)
Weight, g/mol:	435.198048
ΔH_f, kcal/mol:	-101.57
Dipole, Da:	1.69
IP(EA), eV:	-8.63(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-2-methylcyclohexyl]-2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(S2)N(CCCN3CCOCC3)C(=O)CC4=CC5=C(C=C4)OCO5)Cl

DOS

IR

Vibrations