Geometry & MOs

Info

ID:	230826
PubChem CID:	87572088
Reduced:	FSCl2O2N5C29H30 (1)
Stoich.:	ABC2D2E5F29G30 (1)
Weight, g/mol:	520.195799
ΔH_f, kcal/mol:	-44.14
Dipole, Da:	3.58
IP(EA), eV:	-8.55(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-[[5,6-bis(4-nitrophenyl)pyridin-3-yl]oxymethyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)OCCC4=C(C=CC(=C4Cl)F)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations