Geometry & MOs

Info

ID:	379216
PubChem CID:	134356791
Reduced:	O4N6C19H32 (1)
Stoich.:	A4B6C19D32 (1)
Weight, g/mol:	435.203031
ΔH_f, kcal/mol:	-140.44
Dipole, Da:	8.12
IP(EA), eV:	-9.94(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(5S)-5-[(6-fluoropyridine-3-carbonyl)amino]-6-oxo-7-(tetrazol-2-yl)heptyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)CN1N=CN=N1)NC(=O)C2CCCC2

DOS

IR

Vibrations