Geometry & MOs

Info

ID:	178067
PubChem CID:	76272491
Reduced:	SN3O8C21H31 (1)
Stoich.:	AB3C8D21E31 (1)
Weight, g/mol:	368.148455
ΔH_f, kcal/mol:	-326.28
Dipole, Da:	8.49
IP(EA), eV:	-9.38(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminoquinazolin-2-yl)methyl 2-(furan-2-carbonylamino)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C)NC(=O)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations