Geometry & MOs

Info

ID:

94607

PubChem CID:

50002627

Reduced:

BrO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

702.354111

ΔHf, kcal/mol:

-228.47

Dipole, Da:

8.26

IP(EA), eV:

 -8.78(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[(3-fluorobenzoyl)amino]-3-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C)Br

DOS

IR

Vibrations