Geometry & MOs

Info

ID:	142792
PubChem CID:	53091365
Reduced:	ClSF2N2O3H19C23 (1)
Stoich.:	ABC2D2E3F19G23 (1)
Weight, g/mol:	478.246772
ΔH_f, kcal/mol:	-152.7
Dipole, Da:	5.48
IP(EA), eV:	-9.63(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(4-methoxyphenyl)methyl-[3-(4-methoxyphenyl)propanoyl]amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations