Geometry & MOs

Info

ID:	186438
PubChem CID:	77432483
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	321.136493
ΔH_f, kcal/mol:	-147.9
Dipole, Da:	6.65
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-hydroxycyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-8-yl]phenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)C

DOS

IR

Vibrations