Geometry & MOs

Info

ID:	334838
PubChem CID:	127253644
Reduced:	BrClSN3O7H23C27 (1)
Stoich.:	ABCD3E7F23G27 (1)
Weight, g/mol:	360.227374
ΔH_f, kcal/mol:	-199.12
Dipole, Da:	8.48
IP(EA), eV:	-9.11(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(2S,3S)-3-methyl-2-(tetrazol-1-yl)pentanoyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC=C(S4)Br)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations