Geometry & MOs

Info

ID:	95249
PubChem CID:	50007466
Reduced:	O4N5C30H39 (1)
Stoich.:	A4B5C30D39 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-159.17
Dipole, Da:	5.13
IP(EA), eV:	-9.12(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C

DOS

IR

Vibrations