Geometry & MOs

Info

ID:	94983
PubChem CID:	50005454
Reduced:	O5N6C30H40 (1)
Stoich.:	A5B6C30D40 (1)
Weight, g/mol:	515.234411
ΔH_f, kcal/mol:	-198.99
Dipole, Da:	11.26
IP(EA), eV:	-9.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,6-difluoroanilino)-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations