Geometry & MOs

Info

ID:	181610
PubChem CID:	76766079
Reduced:	ClN2O7C25H27 (1)
Stoich.:	AB2C7D25E27 (1)
Weight, g/mol:	541.072879
ΔH_f, kcal/mol:	-270.84
Dipole, Da:	9.1
IP(EA), eV:	-9.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[6-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)sulfonyl-3,7-dioxoazepan-2-yl]propanoate

Drug info:

PubChemData

Smile

CCC(CC(=O)N1CC(=O)NCC(C1=O)CC2=C(C=CC(=C2)Cl)OC)C3=CC(=C(C=C3)O)C(=O)O

DOS

IR

Vibrations