Geometry & MOs

Info

ID:	194317
PubChem CID:	78514690
Reduced:	ClN3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-97.96
Dipole, Da:	2.67
IP(EA), eV:	-8.9(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-anilino-2-oxoethyl) 4-(4-oxo-4aH-quinazolin-2-yl)butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCCC2=NC(=O)C3C=CC=CC3=N2)Cl

DOS

IR

Vibrations