Geometry & MOs

Info

ID:	156617
PubChem CID:	56371375
Reduced:	SO2N4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	433.200156
ΔH_f, kcal/mol:	-73.8
Dipole, Da:	7.55
IP(EA), eV:	-8.58(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[1-[3-(naphthalene-2-carbonylamino)propanoyl]piperidin-4-yl]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

DOS

IR

Vibrations