Geometry & MOs

Info

ID:	106491
PubChem CID:	50165365
Reduced:	N5O5C29H37 (1)
Stoich.:	A5B5C29D37 (1)
Weight, g/mol:	583.17942
ΔH_f, kcal/mol:	-177.55
Dipole, Da:	4.99
IP(EA), eV:	-8.57(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations