Geometry & MOs

Info

ID:	120597
PubChem CID:	50736246
Reduced:	ClO5N6C30H39 (1)
Stoich.:	AB5C6D30E39 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-212.31
Dipole, Da:	9.56
IP(EA), eV:	-8.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-methylcyclohexyl)carbamoyl]phenyl]-1-[2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C(=O)N

DOS

IR

Vibrations