Geometry & MOs

Info

ID:	396997
PubChem CID:	135029566
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	558.272987
ΔH_f, kcal/mol:	-91.3
Dipole, Da:	6.97
IP(EA), eV:	-8.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(4S,5R)-4-hydroxy-10-phenylmethoxydec-1-yn-5-yl]-N-(phenylmethoxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCCCC[C@H]([C@@H]2CCC(=O)O2)N=[N+]=[N-]

DOS

IR

Vibrations