Geometry & MOs

Info

ID:	40683
PubChem CID:	8144523
Reduced:	SO2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	389.156184
ΔH_f, kcal/mol:	31.02
Dipole, Da:	1.66
IP(EA), eV:	-8.57(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN(C4=S)CN5CCOCC5

DOS

IR

Vibrations