Geometry & MOs

Info

ID:	54110
PubChem CID:	14720196
Reduced:	F2N4O9C29H38 (1)
Stoich.:	A2B4C9D29E38 (1)
Weight, g/mol:	524.208256
ΔH_f, kcal/mol:	-415.77
Dipole, Da:	5.46
IP(EA), eV:	-9.84(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(5S)-8-amino-7,7-difluoro-6-hydroxy-5-[(4-nitrophenyl)methoxycarbonylamino]octyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(C(C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)(F)F

DOS

IR

Vibrations