Geometry & MOs

Info

ID:	104833
PubChem CID:	50105743
Reduced:	N5O5C31H43 (1)
Stoich.:	A5B5C31D43 (1)
Weight, g/mol:	557.16377
ΔH_f, kcal/mol:	-197.51
Dipole, Da:	3.88
IP(EA), eV:	-8.68(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-carbamoylphenyl)-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations