Geometry & MOs

Info

ID:	320011
PubChem CID:	126657852
Reduced:	ClFO3N6C30H36 (1)
Stoich.:	ABC3D6E30F36 (1)
Weight, g/mol:	680.409027
ΔH_f, kcal/mol:	-93.53
Dipole, Da:	3.05
IP(EA), eV:	-8.96(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,10,10,15,15,20,20-heptamethyl-21,22,23,24-tetrahydroporphyrin-5-yl)methyl 2-methyl-3,3-diphenylbutanoate

Drug info:

PubChemData

Smile

CC1CCN(C1)C/C=C/C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCCCN5CCOCC5

DOS

IR

Vibrations