Geometry & MOs

Info

ID:	129740
PubChem CID:	51073689
Reduced:	N3O5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	325.082934
ΔH_f, kcal/mol:	-187.62
Dipole, Da:	4.57
IP(EA), eV:	-8.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-chloro-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCNC1=O)OC(=O)C2=CC(=CC=C2)N3CCCC3=O

DOS

IR

Vibrations