Geometry & MOs

Info

ID:	189450
PubChem CID:	77857948
Reduced:	NO5C26H37 (1)
Stoich.:	AB5C26D37 (1)
Weight, g/mol:	371.148121
ΔH_f, kcal/mol:	-244.17
Dipole, Da:	7.78
IP(EA), eV:	-9.38(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(CN2C(=O)CCC(CCCCCCC3=CC=CC=C3)C(=O)O)C(=O)O

DOS

IR

Vibrations