Geometry & MOs

Info

ID:	106309
PubChem CID:	50156469
Reduced:	ClO4N5C30H38 (1)
Stoich.:	AB4C5D30E38 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-157.9
Dipole, Da:	6.4
IP(EA), eV:	-8.9(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-1-[1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations