Geometry & MOs

Info

ID:	409647
PubChem CID:	135082429
Reduced:	NOS2H15C19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	658.373035
ΔH_f, kcal/mol:	79.53
Dipole, Da:	12.28
IP(EA), eV:	-7.64(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[15-acetyloxy-8,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoate

Drug info:

PubChemData

Smile

CSC(=S)/C(=C(/C1=CC=CC=C1)\[O-])/[N+]2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations