Geometry & MOs

Info

ID:	62231
PubChem CID:	26718479
Reduced:	SN5O5H15C18 (1)
Stoich.:	AB5C5D15E18 (1)
Weight, g/mol:	374.122634
ΔH_f, kcal/mol:	-52.13
Dipole, Da:	8.98
IP(EA), eV:	-9.24(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations