Geometry & MOs

Info

ID:	258354
PubChem CID:	103153145
Reduced:	NSO6C9H17 (1)
Stoich.:	ABC6D9E17 (1)
Weight, g/mol:	344.03717
ΔH_f, kcal/mol:	-280.72
Dipole, Da:	6.37
IP(EA), eV:	-10.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NCC(CC(=O)O)OC)S(=O)(=O)C

DOS

IR

Vibrations