Geometry & MOs

Info

ID:	94390
PubChem CID:	50000627
Reduced:	N4O5C28H36 (1)
Stoich.:	A4B5C28D36 (1)
Weight, g/mol:	549.331505
ΔH_f, kcal/mol:	-190.95
Dipole, Da:	6.93
IP(EA), eV:	-8.59(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations