Geometry & MOs

Info

ID:	32891
PubChem CID:	7849195
Reduced:	SN2O6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	417.05105
ΔH_f, kcal/mol:	-267.35
Dipole, Da:	4.43
IP(EA), eV:	-10.11(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[6-bromo-3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC(=O)NC(C)(C)C

DOS

IR

Vibrations