Geometry & MOs

Info

ID:	223801
PubChem CID:	85335591
Reduced:	Cl2N5C32H43 (1)
Stoich.:	A2B5C32D43 (1)
Weight, g/mol:	568.164411
ΔH_f, kcal/mol:	34.53
Dipole, Da:	3.08
IP(EA), eV:	-8.39(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl 2-[(2,6-dichlorobenzoyl)amino]-3-[4-(1-methyl-2-oxo-4H-quinazolin-3-yl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC1CN(CCN1)C(=NC2CC3CC(C2C)C3(C)C)NC4=CC5=C(CN(C5)CCC6=C(C=C(C=C6)Cl)Cl)C=C4

DOS

IR

Vibrations