Geometry & MOs

Info

ID:	232927
PubChem CID:	87577700
Reduced:	N2O3C29H58 (1)
Stoich.:	A2B3C29D58 (1)
Weight, g/mol:	465.074775
ΔH_f, kcal/mol:	-254.3
Dipole, Da:	4.7
IP(EA), eV:	-9.38(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-chloropyridin-4-yl)sulfanyl-4-(2-fluoropyridin-3-yl)thiophen-2-yl]methyl-(2,2-dimethylpropyl)carbamic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)CC[C@@H](C(=O)O)N

DOS

IR

Vibrations