Geometry & MOs

Info

ID:	105327
PubChem CID:	50106936
Reduced:	O4N5C27H35 (1)
Stoich.:	A4B5C27D35 (1)
Weight, g/mol:	590.321668
ΔH_f, kcal/mol:	-169.76
Dipole, Da:	7.32
IP(EA), eV:	-8.89(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)C

DOS

IR

Vibrations