Geometry & MOs

Info

ID:	414282
PubChem CID:	135087238
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	510.306687
ΔH_f, kcal/mol:	-100.45
Dipole, Da:	5.11
IP(EA), eV:	-8.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-2-(3-methylbutanoyl)-6-[4-(tetrazol-1-ylmethyl)benzoyl]-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CC(C)CNC1=CC=CC=C1C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O

DOS

IR

Vibrations