Geometry & MOs

Info

ID:	43985
PubChem CID:	10322712
Reduced:	SN3O4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	475.243519
ΔH_f, kcal/mol:	-30.1
Dipole, Da:	3.85
IP(EA), eV:	-8.73(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(benzylamino)propyl]-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1OC)C(=O)NNC2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations