Geometry & MOs

Info

ID:	172737
PubChem CID:	75545585
Reduced:	FN4O4H26C27 (1)
Stoich.:	AB4C4D26E27 (1)
Weight, g/mol:	479.25842
ΔH_f, kcal/mol:	-145.0
Dipole, Da:	4.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.055462
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]-N-(3-methylbutyl)acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CC1=CC=C(C=C1)N2C(=O)C3C=CC=CC3=[N+](C2=O)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations