Geometry & MOs

Info

ID:	222939
PubChem CID:	85333334
Reduced:	SN6O9C30H52 (1)
Stoich.:	AB6C9D30E52 (1)
Weight, g/mol:	618.320606
ΔH_f, kcal/mol:	-460.4
Dipole, Da:	3.78
IP(EA), eV:	-8.67(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[15-(2-carboxyethenyl)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-21,23-dihydroporphyrin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCSC)N

DOS

IR

Vibrations