Geometry & MOs

Info

ID:	160802
PubChem CID:	57389820
Reduced:	FO2N5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	519.194026
ΔH_f, kcal/mol:	-56.14
Dipole, Da:	4.36
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[2-amino-5-[4-(7-methoxyquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]pyridin-3-yl]sulfinyl-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC=N2)OC3CCN(CC3)CC(=O)NC4CC4)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations