Geometry & MOs

Info

ID:	48328
PubChem CID:	10538935
Reduced:	O2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	255.084672
ΔH_f, kcal/mol:	37.51
Dipole, Da:	3.88
IP(EA), eV:	-9.36(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S,7R)-5,6-dimethyl-7-propan-2-yloxy-7-sulfanylidene-7lambda5-phosphabicyclo[2.2.1]hept-5-ene-2-carbonitrile

Drug info:

PubChemData

Smile

C[C@]12C=C[C@H](C3=CC=CC=C31)N4N2C(=O)N(C4=O)C

DOS

IR

Vibrations