Geometry & MOs

Info

ID:	37134
PubChem CID:	8017300
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	435.159218
ΔH_f, kcal/mol:	-21.31
Dipole, Da:	7.5
IP(EA), eV:	-8.6(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-ethylpiperidin-1-yl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC2=C(C=CC(=C2)C)C

DOS

IR

Vibrations