Geometry & MOs

Info

ID:	160779
PubChem CID:	57389752
Reduced:	SO2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	382.115127
ΔH_f, kcal/mol:	39.88
Dipole, Da:	3.47
IP(EA), eV:	-9.0(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(9R)-7-(4-fluorophenyl)-4,5,13-trimethyl-11-oxa-3-thia-12-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=C[C@H](C3=C2C(=NO3)C)CC(=O)N)C4=CN=NC=C4)C

DOS

IR

Vibrations