Geometry & MOs

Info

ID:	104863
PubChem CID:	50105799
Reduced:	BrO4N5C28H36 (1)
Stoich.:	AB4C5D28E36 (1)
Weight, g/mol:	513.214282
ΔH_f, kcal/mol:	-135.66
Dipole, Da:	7.98
IP(EA), eV:	-8.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamoyl-4-chlorophenyl)-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)NC3=CC(=C(C=C3)Br)C(=O)N(C)C

DOS

IR

Vibrations