Geometry & MOs

Info

ID:	447652
PubChem CID:	135284489
Reduced:	O2F3N3C24H28 (1)
Stoich.:	A2B3C3D24E28 (1)
Weight, g/mol:	483.158132
ΔH_f, kcal/mol:	-180.99
Dipole, Da:	4.36
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(6,7-difluoroquinazolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=C(C=NC=C2)NCC3=CC=CO3)C(F)(F)F)N

DOS

IR

Vibrations