Geometry & MOs

Info

ID:	336546
PubChem CID:	127255553
Reduced:	FN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	397.18017
ΔH_f, kcal/mol:	-102.64
Dipole, Da:	5.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760222
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]carbamic acid

Drug info:

PubChemData

Smile

CC[C@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)N(C(=O)[O-])C(C)(C)C

DOS

IR

Vibrations