Geometry & MOs

Info

ID:	104393
PubChem CID:	50104201
Reduced:	BrO4N5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-163.73
Dipole, Da:	3.75
IP(EA), eV:	-9.11(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamido-3-chlorophenyl)-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)C)Br

DOS

IR

Vibrations