Geometry & MOs

Info

ID:	104493
PubChem CID:	50104411
Reduced:	BrO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-146.36
Dipole, Da:	5.96
IP(EA), eV:	-8.91(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations