Geometry & MOs

Info

ID:	106492
PubChem CID:	50165366
Reduced:	BrO4N5C28H34 (1)
Stoich.:	AB4C5D28E34 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	-142.17
Dipole, Da:	5.95
IP(EA), eV:	-8.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations