Geometry & MOs

Info

ID:	187409
PubChem CID:	77570789
Reduced:	SCl2O3N4H10C15 (1)
Stoich.:	AB2C3D4E10F15 (1)
Weight, g/mol:	625.05127
ΔH_f, kcal/mol:	-58.75
Dipole, Da:	5.95
IP(EA), eV:	-9.38(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-bromo-1-tert-butyl-2-chloro-5-[3-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2H-pyridin-6-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1NC(=O)C23C(=O)NC(=O)N3CC4=CN=C(S4)Cl)Cl

DOS

IR

Vibrations