Geometry & MOs

Info

ID:	62208
PubChem CID:	26718196
Reduced:	BrClNOSH13C14 (1)
Stoich.:	ABCDEF13G14 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-6.8
Dipole, Da:	2.1
IP(EA), eV:	-9.1(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-methyl-5-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)CCCC2=CC=C(S2)Br)Cl

DOS

IR

Vibrations