Geometry & MOs

Info

ID:	382901
PubChem CID:	134974333
Reduced:	BNSiO4C21H34 (1)
Stoich.:	ABCD4E21F34 (1)
Weight, g/mol:	568.320212
ΔH_f, kcal/mol:	-114.79
Dipole, Da:	4.32
IP(EA), eV:	-7.88(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,7-diethyl-2,8,12,13,17,18-hexamethyl-23,24-dihydroporphyrin-5-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

[B][C@@H]1C[C@@H](N(O1)CC2=CC=CC=C2)[C@@H]3[C@@H](CO[C@@H](O3)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations