Geometry & MOs

Info

ID:	106011
PubChem CID:	50146065
Reduced:	N5O5C31H43 (1)
Stoich.:	A5B5C31D43 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-198.13
Dipole, Da:	10.58
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-4-(propanoylamino)phenyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)OC)C

DOS

IR

Vibrations