Geometry & MOs

Info

ID:	105481
PubChem CID:	50111013
Reduced:	O4N5C27H35 (1)
Stoich.:	A4B5C27D35 (1)
Weight, g/mol:	575.254397
ΔH_f, kcal/mol:	-166.98
Dipole, Da:	7.03
IP(EA), eV:	-8.36(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N)C)C

DOS

IR

Vibrations