Geometry & MOs

Info

ID:	149644
PubChem CID:	53789318
Reduced:	NO6C14H17 (1)
Stoich.:	AB6C14D17 (1)
Weight, g/mol:	764.0933
ΔH_f, kcal/mol:	-246.3
Dipole, Da:	8.79
IP(EA), eV:	-9.37(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[3-[10-[3-(3-bromopropanoylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations