Geometry & MOs

Info

ID:	160750
PubChem CID:	57389675
Reduced:	ClO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	399.080826
ΔH_f, kcal/mol:	29.66
Dipole, Da:	7.41
IP(EA), eV:	-9.27(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(9R)-7-(6-chloropyridin-3-yl)-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=NOC2=C1C3=C(C(=NC2)C4=CC=C(C=C4)Cl)C(=O)N(C=C3)C

DOS

IR

Vibrations