Geometry & MOs

Info

ID:	105104
PubChem CID:	50106372
Reduced:	N5O5C27H33 (1)
Stoich.:	A5B5C27D33 (1)
Weight, g/mol:	508.243418
ΔH_f, kcal/mol:	-190.49
Dipole, Da:	6.83
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-carbamoylanilino)-3-oxopropyl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)C

DOS

IR

Vibrations