Geometry & MOs

Info

ID:	104787
PubChem CID:	50105505
Reduced:	FO4N5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-197.4
Dipole, Da:	7.15
IP(EA), eV:	-8.88(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(propanoylamino)phenyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations