Geometry & MOs

Info

ID:	54109
PubChem CID:	14720189
Reduced:	N3O8C23H27 (1)
Stoich.:	A3B8C23D27 (1)
Weight, g/mol:	624.260685
ΔH_f, kcal/mol:	-233.85
Dipole, Da:	5.65
IP(EA), eV:	-9.74(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[7,7-difluoro-6-hydroxy-8-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(4-nitrophenyl)methoxycarbonylamino]octyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations