Geometry & MOs

Info

ID:	44301
PubChem CID:	10502593
Reduced:	N5O5C21H25 (1)
Stoich.:	A5B5C21D25 (1)
Weight, g/mol:	427.18173
ΔH_f, kcal/mol:	-134.65
Dipole, Da:	10.18
IP(EA), eV:	-9.06(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1S,2R,3R,4R)-3-(naphthalen-2-ylsulfonylamino)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C#C)NC(=O)CN1C(=O)C2=C(C=CC(=C2)N3CCNCC3)NC1=O

DOS

IR

Vibrations