Geometry & MOs

Info

ID:	106905
PubChem CID:	50181045
Reduced:	N5O6C31H41 (1)
Stoich.:	A5B6C31D41 (1)
Weight, g/mol:	578.285283
ΔH_f, kcal/mol:	-226.57
Dipole, Da:	5.9
IP(EA), eV:	-8.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-carbamoylanilino)-3-oxopropyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations