Geometry & MOs

Info

ID:	389048
PubChem CID:	134990989
Reduced:	FN3O4C41H44 (1)
Stoich.:	AB3C4D41E44 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-156.86
Dipole, Da:	4.37
IP(EA), eV:	-8.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6R)-6-hydroxybicyclo[3.2.0]hept-2-ene-6-sulfonic acid;(1R)-1-phenylethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)CC(CC(CCN2C(=C(C(=C2C(C)C)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F)O)O

DOS

IR

Vibrations