Geometry & MOs

Info

ID:	56300
PubChem CID:	17425028
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	475.294725
ΔH_f, kcal/mol:	-93.88
Dipole, Da:	2.44
IP(EA), eV:	-8.81(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3)C

DOS

IR

Vibrations