Geometry & MOs

Info

ID:	233925
PubChem CID:	92192471
Reduced:	NO3F4C6H6 (2)
Stoich.:	AB3C4D6E6 (2)
Weight, g/mol:	437.114234
ΔH_f, kcal/mol:	-653.62
Dipole, Da:	8.07
IP(EA), eV:	-10.71(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)NC(=O)C(C(C(C(C(=O)N[C@H](C)C(=O)O)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations