Geometry & MOs

Info

ID:

104291

PubChem CID:

50103936

Reduced:

BrO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

543.265711

ΔHf, kcal/mol:

-171.95

Dipole, Da:

2.24

IP(EA), eV:

 -8.9(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,5-difluoroanilino)-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C

DOS

IR

Vibrations