Geometry & MOs

Info

ID:	95604
PubChem CID:	50010627
Reduced:	N5O5C27H35 (1)
Stoich.:	A5B5C27D35 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-189.06
Dipole, Da:	10.36
IP(EA), eV:	-8.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C

DOS

IR

Vibrations