Geometry & MOs

Info

ID:	107042
PubChem CID:	50186382
Reduced:	O4N5C34H47 (1)
Stoich.:	A4B5C34D47 (1)
Weight, g/mol:	521.263819
ΔH_f, kcal/mol:	-180.1
Dipole, Da:	4.77
IP(EA), eV:	-8.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamoylphenyl)-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NCC(C)C)C

DOS

IR

Vibrations