Geometry & MOs

Info

ID:	38985
PubChem CID:	8138291
Reduced:	SN4O4C15H18 (1)
Stoich.:	AB4C4D15E18 (1)
Weight, g/mol:	287.090606
ΔH_f, kcal/mol:	-103.16
Dipole, Da:	5.14
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1H-pyrrole-2-carbonylamino)carbamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations