Geometry & MOs

Info

ID:	115363
PubChem CID:	50520478
Reduced:	ClO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	584.251396
ΔH_f, kcal/mol:	-159.55
Dipole, Da:	7.45
IP(EA), eV:	-9.11(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[3-[2-methyl-3-(propylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations