Geometry & MOs

Info

ID:	104913
PubChem CID:	50105926
Reduced:	BrO4N5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-141.2
Dipole, Da:	4.19
IP(EA), eV:	-8.93(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-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)NCC(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations