Geometry & MOs

Info

ID:	110046
PubChem CID:	50306964
Reduced:	O4N5C28H37 (1)
Stoich.:	A4B5C28D37 (1)
Weight, g/mol:	581.224989
ΔH_f, kcal/mol:	-169.13
Dipole, Da:	7.57
IP(EA), eV:	-8.77(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N

DOS

IR

Vibrations